SCHEMBL10151189

SCHEMBL10151189

Cc1c2ccc(N(C)c3ccnc(Nc4cccc(CS(C)(=O)=O)c4)n3)cc2nn1C

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.75
KIT P10721 8/20 0.75
PDGFRA P16234 8/20 0.75
CYP3A4 P08684 3/20 0.73
CYP2D6 P10635 3/20 0.73
CYP2C9 P11712 3/20 0.73
CYP2C19 P33261 3/20 0.73
ABCB11 O95342 2/20 0.71
BMPR1B O00238 1/20 0.68
PLK4 O00444 1/20 0.68
AURKA O14965 1/20 0.68
GAK O14976 1/20 0.68
EPHB6 O15197 1/20 0.68
ABCC4 O15439 1/20 0.68
RIPK2 O43353 1/20 0.68
CA12 O43570 1/20 0.68
PIP5K1C O60331 1/20 0.68
JAK2 O60674 1/20 0.68
STK16 O75716 1/20 0.68
STK10 O94804 1/20 0.68

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
SCHEMBL31672447 1.00 KDR (0.75) KDRKITPDGFRACYP3A4CYP2D6
SCHEMBL6079749 0.93 KDR (0.71) KDRKITPDGFRACYP3A4CYP2D6
SCHEMBL6084482 0.92 KDR (0.78) KDRKITPDGFRACYP3A4CYP2D6
SCHEMBL1687028 0.91 ABCB11 (0.73) KDRKITPDGFRACYP3A4CYP2D6
SCHEMBL6083872 0.89 KDR (0.74) KDRKITPDGFRACYP3A4CYP2D6
SCHEMBL14419341 0.88 KDR (0.84) KDRKITPDGFRACYP3A4CYP2D6
SCHEMBL10151187 0.86 KDR (0.73) KDRKITPDGFRACYP3A4CYP2D6
SCHEMBL31672518 0.86 KDR (0.73) KDRKITPDGFRACYP3A4CYP2D6
SCHEMBL589379 0.85 KDR (0.98) KDRKITPDGFRACYP3A4CYP2D6
SCHEMBL6079498 0.85 ABCB11 (0.71) KDRKITPDGFRACYP3A4CYP2D6

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 13 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 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
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 1/4885KIT 160/4885PDGFRA 12/4885
US-20100105712-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 KDR 1/4885KIT 160/4885PDGFRA 12/4885
US-20120277258-A1 Chemical Compounds KDR, FLT4, FLT1 KDR 1/4885KIT 160/4885PDGFRA 12/4885
US-20070270427-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 KDR 1/4885KIT 160/4885PDGFRA 12/4885
US-20070292513-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 KDR 1/4885KIT 160/4885PDGFRA 12/4885

“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.