SCHEMBL10151175

SCHEMBL10151175

Cc1n[nH]c2cc(N(C)c3ncnc(Nc4cccc(S(C)(=O)=O)c4)n3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.49
CYP3A4 P08684 6/20 0.49
CYP2D6 P10635 6/20 0.49
CYP2C9 P11712 6/20 0.49
CYP2C19 P33261 6/20 0.49
EPHB4 P54760 3/20 0.47
LRRK2 Q5S007 2/20 0.43
CDK9 P50750 3/20 0.42
CCNT1 O60563 2/20 0.42
CDK2 P24941 2/20 0.42
CCNE1 P24864 1/20 0.42
TNNI3K Q59H18 3/20 0.42
JAK1 P23458 1/20 0.41
JAK3 P52333 1/20 0.41
CSNK2A1 P68400 1/20 0.38
AURKA O14965 1/20 0.38
MAP4K4 O95819 1/20 0.38
ABL1 P00519 1/20 0.38
LCK P06239 1/20 0.38
MET P08581 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
SCHEMBL31672552 1.00 KDR (0.49) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL10151171 0.88 KDR (0.46) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL31672487 0.88 KDR (0.46) KDRCYP3A4CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL1687059 0.87 KDR (0.46) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL6098657 0.86 KDR (0.66) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL31672457 0.86 KDR (0.66) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL589280 0.82 BACE1 (0.47) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL590352 0.79 FGFR1 (0.42) KDRCYP3A4CYP2C9CYP2C19JAK3
SCHEMBL589184 0.79 JAK3 (0.47) KDRCYP3A4CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL588894 0.78 FGFR1 (0.42) KDRCYP3A4CYP2C9CYP2C19JAK3

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 17 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-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-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-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-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.