SCHEMBL4477003

SCHEMBL4477003

COC(=O)Cc1nccc(N)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
HSD17B10 Q99714 3/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.39
RPS6KB2 Q9UBS0 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
HPGD P15428 2/20 0.37
RXFP1 Q9HBX9 2/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
USP2 O75604 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 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
SCHEMBL18989628 0.84 KDM4E (0.44) ALDH1A1HSD17B10KDM4EMAPTSMN1; SMN2
SCHEMBL29215929 0.81 ALDH1A1 (0.44) ALDH1A1HSD17B10KDM4EMAPTSMN1; SMN2
SCHEMBL31292198 0.81 ALOX15 (0.41) ALDH1A1GAAHSD17B10KDM4EMAPT
SCHEMBL24759680 0.80 MTNR1A (0.46) ALDH1A1HSD17B10KDM4EMAPTSMN1; SMN2
SCHEMBL5922495 0.80 ALDH1A1 (0.40) ALDH1A1GAAGFERHSD17B10KDM4E
SCHEMBL11119468 0.79 GABRA5 (0.53) ALDH1A1GAAHSD17B10KDM4EMAPT
SCHEMBL7084096 0.79 HTT (0.44) ALDH1A1SMN1; SMN2HTTGABRPGABRD
SCHEMBL20745348 0.78 KMT2A (0.46) ALDH1A1HSD17B10KDM4EMAPTSMN1; SMN2
SCHEMBL11714467 0.76 HSP90AB1 (0.44) ALDH1A1HSD17B10KDM4EMAPTSMN1; SMN2
SCHEMBL29255069 0.74 MEN1 (0.50) ALDH1A1GAAHSD17B10KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220073536-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2022-03-10 US disclosed
US-10259826-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2019-04-16 US disclosed
US-20180072756-A1 Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds RIGEL PHARMACEUTICALS, INC. (US) 2018-03-15 US disclosed
US-20120253039-A1 Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds RIGEL PHARMACEUTICALS, INC. (US) 2012-10-04 US disclosed
US-7582648-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS, INC. (US) 2009-09-01 US disclosed
US-20080312438-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2008-12-18 US disclosed
US-7452879-B2 N4-(1-tert-Butoxycarbonylazetidin-3-yl)-5-fluoro-N2-(4-morpholinophenyl)-2,4-pyrimidinediamine; signal transduction cascade inhibitor; Fc receptors for IgE (\"Fc epsilon RI\") and IgG (\"Fc gamma RI\") antagonist; autoimmune diseases, antiinflammatory agent; rheumatoid arthritis, multiple sclerosis RIGEL PHARMACEUTICALS, INC. (US) 2008-11-18 US disclosed
US-20070167439-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2007-07-19 US disclosed
US-20050234049-A1 Ring attached at N2 and N4 of 2,4-pyrimidinediamines; for treating rheumatoid arthritis; N4-(2,2-dimethyl-3-oxo-4H-5-pyrid[1,4]oxazin-6-yl)-5-fluoro-N2-(3,4,5-trimethoxyphenyl)-2,4-pyrimidinediamine MIDCAP FINANCIAL TRUST 2005-10-20 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 (7 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-10259826-B2 Methods of treating or preventing autoimmune diseases with 2,4-pyrimidinediamine compounds SSB, TPMT, ADAR ALDH1A1 2152/4885GAA 1766/4885GFER 2644/4885
US-20220073536-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS SSB, TPMT, ADAR ALDH1A1 1877/4885GAA 1916/4885GFER 2877/4885
US-20120253039-A1 Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds SSB, TPMT, ADAR ALDH1A1 2152/4885GAA 1766/4885GFER 2644/4885
US-20180072756-A1 Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds SSB, TPMT, ADAR ALDH1A1 2152/4885GAA 1766/4885GFER 2644/4885
US-20070167439-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS SSB, TYMS, TPMT ALDH1A1 3877/4885GAA 673/4885GFER 3750/4885
US-20080312438-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS SSB, TYMS, TPMT ALDH1A1 3877/4885GAA 673/4885GFER 3750/4885
US-20050234049-A1 Ring attached at N2 and N4 of 2,4-pyrimidinediamines; for treating rheumatoid arthritis; N4-(2,2-dimethyl-3-oxo-4H-5-pyrid[1,4]oxazin-6-yl)-5-fluoro-N2-(3,4,5-trimethoxyphenyl)-2,4-pyrimidinediamine SSB, HRH4, TLR7 ALDH1A1 3936/4885GAA 2860/4885GFER 3030/4885

“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.