SCHEMBL2744987

SCHEMBL2744987

Nc1ccnc(Nc2ccc3cn[nH]c3c2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 2/20 0.59
WEE1 P30291 1/20 0.59
IGF1R P08069 2/20 0.57
KDR P35968 7/20 0.55
SYK P43405 5/20 0.55
MAPKAPK2 P49137 2/20 0.55
DAPK3 O43293 2/20 0.55
PRKD3 O94806 2/20 0.55
MAP4K4 O95819 2/20 0.55
PAK4 O96013 2/20 0.55
PIM1 P11309 2/20 0.55
PRKACA P17612 2/20 0.55
CDK2 P24941 2/20 0.55
FLT3 P36888 2/20 0.55
CSNK1A1 P48729 2/20 0.55
CLK2 P49760 2/20 0.55
CDK9 P50750 2/20 0.55
JAK3 P52333 2/20 0.55
CDK5 Q00535 2/20 0.55
MAP4K2 Q12851 2/20 0.55

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
SCHEMBL29430407 1.00 CDC7 (0.59) CDC7WEE1IGF1RKDRSYK
SCHEMBL30250674 0.81 CDC7 (0.70) CDC7WEE1IGF1RKDRSYK
SCHEMBL3760002 0.79 SYK (0.60) CDC7WEE1IGF1RKDRSYK
SCHEMBL2744566 0.79 SYK (0.58) SYKEGFRSCN9A
SCHEMBL4492404 0.78 CDC7 (0.63) CDC7WEE1IGF1RKDRSYK
SCHEMBL29430392 0.78 CDC7 (0.63) CDC7WEE1IGF1RKDRSYK
Hydrochloric Acid SCHEMBL12821486 0.78 SYK (0.57) SYKEGFRSCN9A
SCHEMBL8543979 0.75 EIF2AK2 (0.50) CDC7WEE1IGF1RKDRSYK
SCHEMBL29430461 0.75 SCN9A (0.49) CDK2CDK9PDPK1CDK1SCN9A
SCHEMBL4488694 0.75 SCN9A (0.49) CDK2CDK9PDPK1CDK1SCN9A

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-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-8178671-B2 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 RIGEL PHARMACEUTICALS, INC. (US) 2012-05-15 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 (6 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 CDC7 3527/4885WEE1 4347/4885IGF1R 4680/4885
US-20120253039-A1 Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds SSB, TPMT, ADAR CDC7 3527/4885WEE1 4347/4885IGF1R 4680/4885
US-20180072756-A1 Methods of Treating or Preventing Autoimmune Diseases with 2,4-Pyrimidinediamine Compounds SSB, TPMT, ADAR CDC7 3527/4885WEE1 4347/4885IGF1R 4680/4885
US-20070167439-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS SSB, TYMS, TPMT CDC7 3135/4885WEE1 4131/4885IGF1R 3818/4885
US-20080312438-A1 METHODS OF TREATING OR PREVENTING AUTOIMMUNE DISEASES WITH 2,4-PYRIMIDINEDIAMINE COMPOUNDS SSB, TYMS, TPMT CDC7 3135/4885WEE1 4131/4885IGF1R 3818/4885
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 CDC7 2765/4885WEE1 4342/4885IGF1R 1626/4885

“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.