SCHEMBL910518

SCHEMBL910518

O=c1[c]nc2ccccc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.44
PSMB8 P28062 1/20 0.41
RAB9A P51151 7/20 0.39
NPC1 O15118 6/20 0.39
ALDH1A1 P00352 6/20 0.38
GAA P10253 5/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
KDM4E B2RXH2 4/20 0.38
TP53 P04637 4/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 4/20 0.38
PKM P14618 3/20 0.38
GLA P06280 2/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
LMNA P02545 3/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5708068 0.64 NPC1 (0.35) MAPTPSMB8RAB9ANPC1ALDH1A1
SCHEMBL276699 0.64 MAPT (0.46) MAPTPSMB8RAB9ANPC1ALDH1A1
SCHEMBL29506236 0.64 MAPT (0.46) MAPTPSMB8RAB9ANPC1ALDH1A1
SCHEMBL29506237 0.64 MAPT (0.46) MAPTPSMB8RAB9ANPC1ALDH1A1
SCHEMBL29531707 0.62 NPC1 (0.69) MAPTPSMB8RAB9ANPC1ALDH1A1
SCHEMBL824375 0.62 NPC1 (0.69) MAPTPSMB8RAB9ANPC1ALDH1A1
SCHEMBL223563 0.62 PSMB8 (0.66) MAPTPSMB8RAB9ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL22092050 0.62 MAPT (0.44) MAPTPSMB8RAB9ANPC1ALDH1A1
SCHEMBL1385840 0.62 KDM4E (0.35) MAPTRAB9AALDH1A1GAASMN1; SMN2
SCHEMBL4560876 0.62 RAB9A (0.54) MAPTPSMB8RAB9ANPC1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 247 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2252300-B1 USE OF 2,4-PYRIMIDINEDIAMINES FOR THE TREATMENT OF ATHEROSCLEROSIS RIGEL PHARMACEUTICALS INC (US) 2016-10-19 EP claimed
US-8557806-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2013-10-15 US claimed
US-20120230984-A1 Methods of Treating or Preventing Autoimmune Diseases With 2,4-Pyrimidinediamine Compounds RIGEL PHARMACEUTICALS, INC. (US) 2012-09-13 US claimed
US-8034941-B2 Imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-11 US claimed
EP-1471915-B1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2011-09-14 EP claimed
US-20110046126-A1 Use of 2,4-Pyrimidinediamines For the Treatment of Atherosclerosis RIGEL PHARMACEUTICALS, INC. (US) 2011-02-24 US claimed
US-7812029-B1 such as N4-[(2,2-Dimethyl-4H-benzo[1,4]oxazin-3-one)-6-yl]-5-fluoro-N2-[3-(methylaminocarbonylmethyleneoxy)phenyl]-2,4-pyrimidinediamine; Glomerulonephritis; rheumatoid arthritis; systemic lupus erythematosis; multiple sclerosis RIGEL PHARMACEUTICALS, INC. (US) 2010-10-12 US claimed
US-20100144703-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-06-10 US claimed
EP-1562946-B1 NOVEL XANTHINE DERIVATIVES, THE PRODUCTION AND THE USE THEREOF IN THE FORM OF DRUGS BOEHRINGER INGELHEIM PHARMA (DE) 2010-05-26 EP claimed
EP-1534286-B1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS RIGEL PHARMACEUTICALS INC (US) 2009-12-09 EP claimed
US-20070293524-A1 Salts, hydrates, solvatesand/or N-oxides; inhibit the IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators; Syk kinase inhibitors; inhibiting an Fc receptor signal transduction cascade RIGEL PHARMACEUTICALS, INC. (US) 2007-12-20 US claimed
US-20070293520-A1 One amine is substituted with a fused heterocyclic ring and the other with a fused heterocyclic ring or phenyl ring, e.g., N2,N4-Bis(3,4-ethylenedioxyphenyl)-5-cyano-2,4-pyrimidinediamine; inhibit IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators such as histamine RIGEL PHARMACEUTICALS, INC. (US) 2007-12-20 US claimed
US-20070293521-A1 inhibitors of immunoglobulin E or G receptor signaling cascades; Syk kinase inhibitors; use as antiallergic, antiinflammatory agents RIGEL PHARMACEUTICALS, INC. (US) 2007-12-20 US claimed
US-20070293522-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2007-12-20 US claimed
US-20070225321-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2007-09-27 US claimed
US-20070060603-A1 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds PFIZER INC. 2007-03-15 US claimed
CN-1678321-A Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS INC (US) 2005-10-05 CN claimed
US-20050026921-A1 New imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-03 US claimed
US-20040138214-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-15 US claimed
US-20040029902-A1 Antiinflamamtory agents MIDCAP FINANCIAL TRUST 2004-02-12 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040138214-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP7, DPP3 MAPT 772/4885PSMB8 2714/4885RAB9A 3425/4885
US-20100144703-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP7, DPP3 MAPT 810/4885PSMB8 2764/4885RAB9A 3652/4885
US-20070225321-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A MAPT 4104/4885PSMB8 2699/4885RAB9A 2531/4885
US-20040029902-A1 Antiinflamamtory agents FCER2, FCGR1A, HNMT MAPT 4330/4885PSMB8 1984/4885RAB9A 3057/4885
US-20070060603-A1 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds SSB, TYMS, TPMT MAPT 4315/4885PSMB8 2254/4885RAB9A 2944/4885
US-20070293522-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A MAPT 4104/4885PSMB8 2699/4885RAB9A 2531/4885
US-20110046126-A1 Use of 2,4-Pyrimidinediamines For the Treatment of Atherosclerosis TYMP, TYMS, NUDT1 MAPT 4384/4885PSMB8 4062/4885RAB9A 4077/4885
US-20070293520-A1 One amine is substituted with a fused heterocyclic ring and the other with a fused heterocyclic ring or phenyl ring, e.g., N2,N4-Bis(3,4-ethylenedioxyphenyl)-5-cyano-2,4-pyrimidinediamine; inhibit IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators such as histamine HRH4, FCER2, HRH2 MAPT 4266/4885PSMB8 1488/4885RAB9A 2193/4885
US-20070293521-A1 inhibitors of immunoglobulin E or G receptor signaling cascades; Syk kinase inhibitors; use as antiallergic, antiinflammatory agents FCER2, SYK, FCGR1A MAPT 4110/4885PSMB8 1648/4885RAB9A 2656/4885
US-20070293524-A1 Salts, hydrates, solvatesand/or N-oxides; inhibit the IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators; Syk kinase inhibitors; inhibiting an Fc receptor signal transduction cascade SYK, FCER2, FCGR1A MAPT 2623/4885PSMB8 2547/4885RAB9A 2180/4885
US-20120230984-A1 Methods of Treating or Preventing Autoimmune Diseases With 2,4-Pyrimidinediamine Compounds SSB, TYMS, TPMT MAPT 4315/4885PSMB8 2254/4885RAB9A 2944/4885
US-20050026921-A1 New imidazopyridazinone and imidazopyridone derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 MAPT 717/4885PSMB8 2376/4885RAB9A 3396/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.