SCHEMBL10151181

SCHEMBL10151181

Cc1n[nH]c2cc(N(C)c3ccnc(Nc4ccc(CS(=O)(=O)C(C)C)cc4)n3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.49
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47
ABCB11 O95342 2/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
AURKA O14965 2/20 0.43
BMPR1B O00238 1/20 0.43
PLK4 O00444 1/20 0.43

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
SCHEMBL31672523 1.00 KDR (0.49) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL31672434 0.92 KDR (0.54) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL10151180 0.92 KDR (0.54) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL588575 0.85 KDR (0.47) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL31672478 0.84 KDR (0.51) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL10151205 0.84 KDR (0.51) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL588581 0.83 KDR (0.61) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL30452644 0.83 KDR (0.61) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL31672451 0.82 KDR (0.62) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL10151178 0.82 KDR (0.62) KDRCYP3A4CYP2D6CYP2C9CYP2C19

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 1/4885CYP3A4 2882/4885CYP2D6 1791/4885
US-20100105712-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 KDR 1/4885CYP3A4 2882/4885CYP2D6 1791/4885
US-20120277258-A1 Chemical Compounds KDR, FLT4, FLT1 KDR 1/4885CYP3A4 2882/4885CYP2D6 1791/4885
US-20070270427-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 KDR 1/4885CYP3A4 2882/4885CYP2D6 1791/4885
US-20070292513-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 KDR 1/4885CYP3A4 2882/4885CYP2D6 1791/4885

“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.