SCHEMBL589714

SCHEMBL589714

CCc1n[nH]c2cc(-c3nc(Nc4cccc(CS(C)(=O)=O)c4)nc(NC)c3F)ccc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.41
PKMYT1 Q99640 1/20 0.40
CDK2 P24941 7/20 0.40
CDK9 P50750 7/20 0.40
CCNT1 O60563 4/20 0.40
CCNE1 P24864 4/20 0.40
NEK2 P51955 1/20 0.38
RET P07949 1/20 0.37
PDGFRA P16234 1/20 0.37
FLT1 P17948 1/20 0.37
GAK O14976 1/20 0.36
STK16 O75716 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
BMP2K Q9NSY1 1/20 0.36

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
SCHEMBL31672445 0.74 KDR (0.44) KDRPKMYT1CDK2CDK9CCNT1
SCHEMBL10151156 0.74 KDR (0.44) KDRPKMYT1CDK2CDK9CCNT1
SCHEMBL589262 0.70 NEK2 (0.46) KDRPKMYT1CDK2CDK9CCNT1
Hydrochloric Acid SCHEMBL588938 0.70 NEK2 (0.41) KDRPKMYT1CDK2CDK9CCNT1
Hydrochloric Acid SCHEMBL589256 0.69 NEK2 (0.46) KDRPKMYT1CDK2CDK9CCNT1
SCHEMBL588382 0.69 PKMYT1 (0.49) PKMYT1CDK2CDK9CCNT1CCNE1
SCHEMBL5483339 0.68 GRM4 (0.40) KDRCDK2CDK9CCNT1CCNE1
SCHEMBL588761 0.67 PKMYT1 (0.59) KDRPKMYT1CDK2NEK2RET
SCHEMBL10151169 0.67 CCNT1 (0.49) KDRPKMYT1CDK2CDK9CCNT1
Trifluoroacetic Acid SCHEMBL588602 0.67 KDR (0.43) KDRPKMYT1CDK2CDK9CCNT1

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 18 patents. 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-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-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 KDR 5/4885PKMYT1 1205/4885CDK2 56/4885
US-20070015756-A1 Chemical compounds KDR, FLT4, FLT1 KDR 1/4885PKMYT1 1367/4885CDK2 10/4885
US-20100105712-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 KDR 1/4885PKMYT1 1367/4885CDK2 10/4885
US-20180000771-A1 AGENT FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS WEE2, WEE1, ERBB2 KDR 648/4885PKMYT1 1386/4885CDK2 20/4885
US-20120277258-A1 Chemical Compounds KDR, FLT4, FLT1 KDR 1/4885PKMYT1 1367/4885CDK2 10/4885
US-20070270427-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 KDR 1/4885PKMYT1 1367/4885CDK2 10/4885
US-20070292513-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 KDR 1/4885PKMYT1 1367/4885CDK2 10/4885

“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.