SCHEMBL589265

SCHEMBL589265

Cc1cnc(Nc2cccc([S+](C)[O-])c2)nc1Nc1ccc2c(C)n[nH]c2c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.48
JAK3 P52333 10/20 0.47
JAK1 P23458 9/20 0.47
AURKA O14965 1/20 0.41
PDGFRB P09619 4/20 0.41
PDGFRA P16234 4/20 0.41
EGFR P00533 3/20 0.41
BTK Q06187 2/20 0.41
ITK Q08881 1/20 0.41
CDK1 P06493 1/20 0.40

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
SCHEMBL588639 0.81 JAK1 (0.66) SYKJAK3JAK1AURKAEGFR
SCHEMBL588761 0.79 PKMYT1 (0.59) SYKJAK3JAK1AURKAEGFR
SCHEMBL588491 0.79 JAK3 (0.64) SYKJAK3JAK1AURKAPDGFRB
SCHEMBL31672519 0.76 KDR (0.51) PDGFRA
SCHEMBL10151214 0.76 KDR (0.51) PDGFRA
SCHEMBL29609942 0.75 JAK1 (0.69) SYKJAK3JAK1
SCHEMBL341021 0.75 JAK1 (0.69) SYKJAK3JAK1
SCHEMBL24625492 0.74 EGFR (0.68) PDGFRBPDGFRAEGFR
SCHEMBL29793664 0.74 EGFR (0.68) PDGFRBPDGFRAEGFR
SCHEMBL2917842 0.74 JAK1 (0.40) SYKJAK3JAK1BTKCDK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2311825-B1 Pyrimidineamines as angiogenesis modulators NOVARTIS AG (CH) 2015-10-07 EP claimed
EP-2311825-A1 Pyrimidineamines as angiogenesis modulators GlaxoSmithKline LLC (US) 2011-04-20 EP claimed
US-7262203-B2 Pyrimidineamines as angiogenesis modulators SMITHKLINE BEECHAM CORPORATION (US) 2007-08-28 US claimed
US-20070015756-A1 Chemical compounds NOVARTIS AG (CH) 2007-01-18 US claimed
EP-3789027-A1 BOSUTINIB, SUNITINIB, TIVOZANIB, IMATINIB, NILOTINIB, REBASTINIB OR BAFETINIB FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2021-03-10 EP disclosed
US-20180000771-A1 AGENT FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2018-01-04 US disclosed
EP-3246046-A1 AGENT FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2017-11-22 EP disclosed
EP-2311825-B1 Pyrimidineamines as angiogenesis modulators NOVARTIS AG (CH) 2015-10-07 EP disclosed
US-20120277258-A1 Chemical Compounds LEO OSPREY LIMITED (JE) 2012-11-01 US disclosed
US-8114885-B2 Pazopanib hydrochloride and synthesis, chemical intermediates, and dosage forms thereof; anticancer; colon cancer, breast cancer GLAXOSMITHKLINE LLC (US) 2012-02-14 US disclosed
EP-2311825-A1 Pyrimidineamines as angiogenesis modulators GlaxoSmithKline LLC (US) 2011-04-20 EP disclosed
US-7858626-B2 Pyrimidineamines as angiogenesis modulators GLAXOSMITHKLINE LLC (US) 2010-12-28 US disclosed
US-20100105712-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2010-04-29 US disclosed
EP-1343782-B1 PYRIMIDINEAMINES AS ANGIOGENESIS MODULATORS SMITHKLINE BEECHAM CORP (US) 2009-05-06 EP disclosed
US-20070292513-A1 CHEMICAL COMPOUNDS NOVARTIS AG (CH) 2007-12-20 US disclosed
US-20070270427-A1 CHEMICAL COMPOUNDS NOVARTIS AG (CH) 2007-11-22 US disclosed
US-7262203-B2 Pyrimidineamines as angiogenesis modulators SMITHKLINE BEECHAM CORPORATION (US) 2007-08-28 US disclosed
US-20070015756-A1 Chemical compounds NOVARTIS AG (CH) 2007-01-18 US disclosed
US-7105530-B2 inhibitors of vascular endothelial growth factor receptor-2 kinase; pazopanib and salts; for proliferative retinopathy; anticancer SMITHKLINE BEECHAM CORPORATION (US) 2006-09-12 US disclosed
US-20040242578-A1 Pyrimidineamines as angiogenesis modulators NOVARTIS AG (CH) 2004-12-02 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-20040242578-A1 Pyrimidineamines as angiogenesis modulators TYMS, TYMP, DPYD SYK 903/4885JAK3 267/4885JAK1 309/4885
US-20070015756-A1 Chemical compounds KDR, FLT4, FLT1 SYK 463/4885JAK3 136/4885JAK1 124/4885
US-20100105712-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 SYK 463/4885JAK3 136/4885JAK1 124/4885
US-20180000771-A1 AGENT FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS WEE2, WEE1, ERBB2 SYK 361/4885JAK3 9/4885JAK1 24/4885
US-20120277258-A1 Chemical Compounds KDR, FLT4, FLT1 SYK 463/4885JAK3 136/4885JAK1 124/4885
US-20070270427-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 SYK 463/4885JAK3 136/4885JAK1 124/4885
US-20070292513-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 SYK 463/4885JAK3 136/4885JAK1 124/4885

“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.