SCHEMBL10151156

SCHEMBL10151156

CCc1n[nH]c2cc(N(C)c3nc(Nc4cccc(CS(C)(=O)=O)c4)ncc3F)ccc12

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.44
PAK1 Q13153 2/20 0.44
PKMYT1 Q99640 1/20 0.39
CCNT1 O60563 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CDK9 P50750 1/20 0.39

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 1.00 KDR (0.44) KDRPAK1PKMYT1CCNT1CCNE1
SCHEMBL2877133 0.90 KDR (0.46) KDRPAK1PKMYT1CCNT1CCNE1
SCHEMBL31672441 0.90 KDR (0.46) KDRPAK1PKMYT1CCNT1CCNE1
SCHEMBL5407220 0.86 PAK1 (0.38) KDRPAK1
SCHEMBL31672454 0.82 PAK1 (0.42) KDRPAK1CDK2CDK9
SCHEMBL2867774 0.82 PAK1 (0.42) KDRPAK1CDK2CDK9
SCHEMBL5483339 0.80 GRM4 (0.40) KDRPAK1CCNT1CCNE1CDK2
SCHEMBL17147058 0.78 KDR (0.44) KDRPAK1PKMYT1CCNT1CCNE1
SCHEMBL589155 0.75 PAK1 (0.41) KDRPAK1CDK2
SCHEMBL30454154 0.75 CYP3A4 (0.43) KDRPAK1CCNT1CCNE1CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-20070292513-A1 CHEMICAL COMPOUNDS NOVARTIS AG (CH) 2007-12-20 US 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-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-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-20070015756-A1 Chemical compounds NOVARTIS AG (CH) 2007-01-18 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 (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-20070015756-A1 Chemical compounds KDR, FLT4, FLT1 KDR 1/4885PAK1 189/4885PKMYT1 1367/4885
US-20100105712-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 KDR 1/4885PAK1 189/4885PKMYT1 1367/4885
US-20120277258-A1 Chemical Compounds KDR, FLT4, FLT1 KDR 1/4885PAK1 189/4885PKMYT1 1367/4885
US-20070270427-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 KDR 1/4885PAK1 189/4885PKMYT1 1367/4885
US-20070292513-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 KDR 1/4885PAK1 189/4885PKMYT1 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.