SCHEMBL10151169

SCHEMBL10151169

Cc1n[nH]c2cc(Nc3ncnc(Nc4cccc(CS(C)(=O)=O)c4)n3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 6/20 0.49
CCNE1 P24864 6/20 0.49
CDK2 P24941 6/20 0.49
CDK9 P50750 6/20 0.49
NEK2 P51955 1/20 0.46
KDR P35968 11/20 0.45
PKMYT1 Q99640 1/20 0.45
TNNI3K Q59H18 1/20 0.42
CCNK O75909 1/20 0.42
CCNE2 O96020 1/20 0.42
CDK1 P06493 1/20 0.42
YES1 P07947 1/20 0.42
LYN P07948 1/20 0.42
FGR P09769 1/20 0.42
SRC P12931 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNA2 P20248 1/20 0.42
EPHA1 P21709 1/20 0.42
ABL2 P42684 1/20 0.42
GSK3A P49840 1/20 0.42

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
SCHEMBL589262 0.93 NEK2 (0.46) CCNT1CCNE1CDK2CDK9NEK2
Hydrochloric Acid SCHEMBL589256 0.92 NEK2 (0.46) CCNT1CCNE1CDK2CDK9NEK2
SCHEMBL588761 0.88 PKMYT1 (0.59) CDK2NEK2KDRPKMYT1CDK1
SCHEMBL31672487 0.86 KDR (0.46) CCNT1CCNE1CDK2CDK9NEK2
SCHEMBL10151171 0.86 KDR (0.46) CCNT1CCNE1CDK2CDK9NEK2
Hydrochloric Acid SCHEMBL1687059 0.86 KDR (0.46) CCNT1CCNE1CDK2CDK9NEK2
SCHEMBL588573 0.84 NEK2 (0.47) NEK2KDRPKMYT1
SCHEMBL31672451 0.81 KDR (0.62) KDR
SCHEMBL10151178 0.81 KDR (0.62) KDR
Hydrochloric Acid SCHEMBL588938 0.80 NEK2 (0.41) CCNT1CCNE1CDK2CDK9NEK2

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-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
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-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 CCNT1 236/4885CCNE1 357/4885CDK2 10/4885
US-20100105712-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 CCNT1 236/4885CCNE1 357/4885CDK2 10/4885
US-20120277258-A1 Chemical Compounds KDR, FLT4, FLT1 CCNT1 236/4885CCNE1 357/4885CDK2 10/4885
US-20070270427-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 CCNT1 236/4885CCNE1 357/4885CDK2 10/4885
US-20070292513-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 CCNT1 236/4885CCNE1 357/4885CDK2 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.