SCHEMBL589262

SCHEMBL589262

Cc1nc(Nc2cccc(CS(C)(=O)=O)c2)nc(Nc2ccc3c(C)n[nH]c3c2)n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NEK2 P51955 1/20 0.46
KDR P35968 15/20 0.44
PKMYT1 Q99640 1/20 0.44
CCNT1 O60563 2/20 0.41
CCNE1 P24864 2/20 0.41
CDK2 P24941 2/20 0.41
CDK9 P50750 2/20 0.41
MET P08581 1/20 0.40
RET P07949 1/20 0.40
FLT1 P17948 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
Hydrochloric Acid SCHEMBL589256 0.99 NEK2 (0.46) NEK2KDRPKMYT1CCNT1CCNE1
SCHEMBL10151169 0.93 CCNT1 (0.49) NEK2KDRPKMYT1CCNT1CCNE1
SCHEMBL588761 0.86 PKMYT1 (0.59) NEK2KDRPKMYT1CDK2MET
SCHEMBL589184 0.85 JAK3 (0.47) KDRCCNT1CCNE1CDK2CDK9
Hydrochloric Acid SCHEMBL588938 0.83 NEK2 (0.41) NEK2KDRPKMYT1CCNT1CCNE1
SCHEMBL588573 0.83 NEK2 (0.47) NEK2KDRPKMYT1
SCHEMBL10151171 0.80 KDR (0.46) NEK2KDRPKMYT1CCNT1CCNE1
SCHEMBL31672487 0.80 KDR (0.46) NEK2KDRPKMYT1CCNT1CCNE1
SCHEMBL31672451 0.80 KDR (0.62) KDR
SCHEMBL10151178 0.80 KDR (0.62) KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2311825-A1 Pyrimidineamines as angiogenesis modulators GlaxoSmithKline LLC (US) 2011-04-20 EP claimed
US-20070270427-A1 CHEMICAL COMPOUNDS NOVARTIS AG (CH) 2007-11-22 US claimed
US-20070015756-A1 Chemical compounds NOVARTIS AG (CH) 2007-01-18 US claimed
US-20040242578-A1 Pyrimidineamines as angiogenesis modulators NOVARTIS AG (CH) 2004-12-02 US claimed
EP-1343782-A1 PYRIMIDINEAMINES AS ANGIOGENESIS MODULATORS GLAXO GROUP LIMITED (GB) 2003-09-17 EP claimed
WO-2002059110-A1 PYRIMIDINEAMINES AS ANGIOGENESIS MODULATORS GLAXO GROUP LIMITED (GB) 2002-08-01 WO 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
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-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
EP-1343782-A1 PYRIMIDINEAMINES AS ANGIOGENESIS MODULATORS GLAXO GROUP LIMITED (GB) 2003-09-17 EP disclosed
WO-2002059110-A1 PYRIMIDINEAMINES AS ANGIOGENESIS MODULATORS GLAXO GROUP LIMITED (GB) 2002-08-01 WO 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 (5 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 NEK2 789/4885KDR 5/4885PKMYT1 1205/4885
US-20070015756-A1 Chemical compounds KDR, FLT4, FLT1 NEK2 585/4885KDR 1/4885PKMYT1 1367/4885
US-20180000771-A1 AGENT FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS WEE2, WEE1, ERBB2 NEK2 1199/4885KDR 648/4885PKMYT1 1386/4885
US-20120277258-A1 Chemical Compounds KDR, FLT4, FLT1 NEK2 585/4885KDR 1/4885PKMYT1 1367/4885
US-20070270427-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 NEK2 585/4885KDR 1/4885PKMYT1 1367/4885

“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.