SCHEMBL2784064

SCHEMBL2784064

Clc1cc(Cl)nc(Nc2ccc3c(c2)OCCO3)n1.Nc1ccc2c(c1)OCCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 1/20 0.50
MAPT P10636 3/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
USP2 O75604 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
STK17A Q9UEE5 2/20 0.47
STK17B O94768 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ATM Q13315 1/20 0.47
BRD4 O60885 1/20 0.45
LMNA P02545 2/20 0.45
KDM1A O60341 1/20 0.45
ALOX5 P09917 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44

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
SCHEMBL657553 0.92 BRAF (0.53) BRAFMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL658259 0.83 RHOA (0.51) BRAFMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL1391788 0.80 BRAF (0.53) BRAFMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL27631835 0.78 ALDH1A1 (0.48) BRAFMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL655454 0.77 BRAF (0.60) BRAFMAPTALDH1A1SMN1; SMN2STK17A
SCHEMBL1008711 0.76 MAPT (0.55) BRAFMAPTGAAKDM4EALDH1A1
SCHEMBL658140 0.75 RHOA (0.57) BRAFMAPTALDH1A1SMN1; SMN2USP2
SCHEMBL3502544 0.74 MAPT (0.61) BRAFMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL159592 0.73 MAPT (0.83) MAPTGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL30197402 0.73 MAPT (0.83) MAPTGAAKDM4EALDH1A1SMN1; SMN2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2020-06-16 US disclosed
US-20160009660-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2016-01-14 US disclosed
US-9018204-B1 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2015-04-28 US disclosed
EP-2316459-B1 2,4-pyrimidinediamine compounds for use in methods of treating or preventing autoimmune diseases RIGEL PHARMACEUTICALS INC (US) 2013-11-06 EP disclosed
US-8557806-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2013-10-15 US disclosed
US-8334296-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2012-12-18 US disclosed
US-8188276-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
US-7825116-B2 -(2-Aminopyrid-6-yl)-5-fluoro-N2-[3-(N-methylamino)carbonylmethyleneoxyphenyl]-2,4-pyrimidinediamine; signal transduction cascade inhibitor; Fc receptors for immunoglobulins IgE and IgG antagonist; autoimmune diseases, antiinflammatory agent; rheumatoid arthritis, multiple sclerosis RIGEL PHARMACEUTICALS, INC. (US) 2010-11-02 US disclosed
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 disclosed
US-20090171086-A1 inhibitors of immunoglobulin E or G receptor signaling cascades; Syk kinase inhibitors; use as antiallergic, antiinflammatory agents RIGEL PHARMACEUTICALS, INC. 2009-07-02 US disclosed
US-20090171085-A1 N2,N4-bis(4-ethoxyphenyl)-5-fluoro-2,4-pyrimidinediamine; inhibit the IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators; Syk kinase inhibitors RIGEL PHARMACEUTICALS, INC. 2009-07-02 US disclosed
US-20090156622-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. 2009-06-18 US disclosed
US-7517886-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2009-04-14 US disclosed
US-20090082567-A1 reacting a aminobenzoxazne or aminobenzothiazine or aminobenzodithiazine compounds wtih 2,4-dichloro-5-fluoropyrimidine to form 2,4-pyrimidinediamne compound; used to inhibit IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators; antiinflammatory agent, antiallergen RIGEL PHARMACEUTICALS, INC. 2009-03-26 US disclosed
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 disclosed
US-20050038243-A1 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents MIDCAP FINANCIAL TRUST 2005-02-17 US disclosed

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

For each of this compound's patents that has machine-readable text (8 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-20090156622-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A BRAF 1662/4885MAPT 4104/4885GAA 2220/4885
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A BRAF 1662/4885MAPT 4104/4885GAA 2220/4885
US-20160009660-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A BRAF 1662/4885MAPT 4104/4885GAA 2220/4885
US-20090171085-A1 N2,N4-bis(4-ethoxyphenyl)-5-fluoro-2,4-pyrimidinediamine; inhibit the IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators; Syk kinase inhibitors FCER2, FCGR1A, SYK BRAF 1138/4885MAPT 3958/4885GAA 2229/4885
US-20050038243-A1 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents FCER2, FCGR1A, FCGR2A BRAF 2223/4885MAPT 4391/4885GAA 1871/4885
US-20070293521-A1 inhibitors of immunoglobulin E or G receptor signaling cascades; Syk kinase inhibitors; use as antiallergic, antiinflammatory agents FCER2, SYK, FCGR1A BRAF 1336/4885MAPT 4110/4885GAA 1479/4885
US-20090082567-A1 reacting a aminobenzoxazne or aminobenzothiazine or aminobenzodithiazine compounds wtih 2,4-dichloro-5-fluoropyrimidine to form 2,4-pyrimidinediamne compound; used to inhibit IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators; antiinflammatory agent, antiallergen HRH2, HRH1, FCER2 BRAF 2534/4885MAPT 2999/4885GAA 2156/4885
US-20090171086-A1 inhibitors of immunoglobulin E or G receptor signaling cascades; Syk kinase inhibitors; use as antiallergic, antiinflammatory agents FCER2, SYK, FCGR1A BRAF 1336/4885MAPT 4110/4885GAA 1479/4885

“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.