SCHEMBL588573

SCHEMBL588573

C#Cc1cnc(Nc2cccc(CS(C)(=O)=O)c2)nc1Nc1ccc2c(C)n[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NEK2 P51955 3/20 0.47
PKMYT1 Q99640 1/20 0.47
JAK1 P23458 7/20 0.41
JAK3 P52333 3/20 0.41
VRK1 Q99986 1/20 0.40
KDR P35968 6/20 0.40
DAPK3 O43293 1/20 0.40
STK17B O94768 1/20 0.40
DAPK1 P53355 1/20 0.40
STK17A Q9UEE5 1/20 0.40
JAK2 O60674 4/20 0.39
SYK P43405 1/20 0.38

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
SCHEMBL588761 0.89 PKMYT1 (0.59) NEK2PKMYT1JAK1JAK3KDR
SCHEMBL10151169 0.84 CCNT1 (0.49) NEK2PKMYT1KDR
SCHEMBL589262 0.83 NEK2 (0.46) NEK2PKMYT1KDR
Hydrochloric Acid SCHEMBL589256 0.82 NEK2 (0.46) NEK2PKMYT1KDR
SCHEMBL31672396 0.76 KDR (0.51) NEK2KDR
SCHEMBL17135512 0.76 KDR (0.51) NEK2KDR
SCHEMBL588639 0.76 JAK1 (0.66) NEK2JAK1JAK3KDRDAPK3
SCHEMBL31672441 0.75 KDR (0.46) PKMYT1KDR
SCHEMBL2877133 0.75 KDR (0.46) PKMYT1KDR
SCHEMBL10151202 0.75 KDR (0.49) NEK2KDR

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 21 patents — showing the first 20. 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
US-20040242578-A1 Pyrimidineamines as angiogenesis modulators NOVARTIS AG (CH) 2004-12-02 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-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 NEK2 789/4885PKMYT1 1205/4885JAK1 309/4885
US-20070015756-A1 Chemical compounds KDR, FLT4, FLT1 NEK2 585/4885PKMYT1 1367/4885JAK1 124/4885
US-20100105712-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 NEK2 585/4885PKMYT1 1367/4885JAK1 124/4885
US-20180000771-A1 AGENT FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS WEE2, WEE1, ERBB2 NEK2 1199/4885PKMYT1 1386/4885JAK1 24/4885
US-20120277258-A1 Chemical Compounds KDR, FLT4, FLT1 NEK2 585/4885PKMYT1 1367/4885JAK1 124/4885
US-20070270427-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 NEK2 585/4885PKMYT1 1367/4885JAK1 124/4885
US-20070292513-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 NEK2 585/4885PKMYT1 1367/4885JAK1 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.