SCHEMBL588615

SCHEMBL588615

Cc1nn(C(=O)OC(C)(C)C)c2cc(Nc3ccnc(Cl)n3)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.38
ROCK2 O75116 4/20 0.38
ROCK1 Q13464 3/20 0.38
CHEK2 O96017 1/20 0.38
PRKACA P17612 1/20 0.38
RPS6KA3 P51812 1/20 0.38
PAK1 Q13153 1/20 0.38
DYRK1A Q13627 1/20 0.38
PRKD2 Q9BZL6 1/20 0.38
MAPK14 Q16539 1/20 0.37
BTK Q06187 1/20 0.34
SYK P43405 1/20 0.34
FLT1 P17948 2/20 0.33
FLT4 P35916 2/20 0.33
KDR P35968 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
ACHE P22303 1/20 0.33
EGFR P00533 1/20 0.33
ITK Q08881 1/20 0.33

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
SCHEMBL6998291 0.86 MAPK14 (0.40) MAPK14BTKFLT1FLT4KDR
SCHEMBL589284 0.82 EGFR (0.47) ROCK2ROCK1CHEK2PRKACARPS6KA3
SCHEMBL17025824 0.80 ROCK2 (0.54) ROCK2ROCK1CHEK2PRKACARPS6KA3
SCHEMBL21100830 0.79 EGFR (0.41) ROCK2ROCK1CHEK2PRKACARPS6KA3
SCHEMBL588757 0.78 KDR (0.39) AAK1SYKFLT1FLT4KDR
SCHEMBL14634942 0.75 GRM5 (0.39) AAK1ROCK2MAPK14SYKACHE
SCHEMBL21341392 0.74 ROCK2 (0.45) AAK1ROCK2ROCK1CHEK2PRKACA
SCHEMBL7605898 0.73 ELANE (0.44) MAP2K4
SCHEMBL12975335 0.73 AAK1 (0.33) AAK1MAP2K4
SCHEMBL176840 0.72 ESR2 (0.41) EGFRMAP2K4

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 16 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
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-20100105712-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2010-04-29 US disclosed
EP-1343782-B1 PYRIMIDINEAMINES AS ANGIOGENESIS MODULATORS SMITHKLINE BEECHAM CORP (US) 2009-05-06 EP 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-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-7105530-B2 inhibitors of vascular endothelial growth factor receptor-2 kinase; pazopanib and salts; for proliferative retinopathy; anticancer SMITHKLINE BEECHAM CORPORATION (US) 2006-09-12 US disclosed
US-20040242578-A1 Pyrimidineamines as angiogenesis modulators NOVARTIS AG (CH) 2004-12-02 US disclosed
EP-1343782-A1 PYRIMIDINEAMINES AS ANGIOGENESIS MODULATORS GLAXO GROUP LIMITED (GB) 2003-09-17 EP disclosed
WO-2002059110-A1 PYRIMIDINEAMINES AS ANGIOGENESIS MODULATORS GLAXO GROUP LIMITED (GB) 2002-08-01 WO 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 (6 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-20040242578-A1 Pyrimidineamines as angiogenesis modulators TYMS, TYMP, DPYD AAK1 400/4885ROCK2 2908/4885ROCK1 3415/4885
US-20070015756-A1 Chemical compounds KDR, FLT4, FLT1 AAK1 874/4885ROCK2 908/4885ROCK1 1149/4885
US-20100105712-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 AAK1 874/4885ROCK2 908/4885ROCK1 1149/4885
US-20120277258-A1 Chemical Compounds KDR, FLT4, FLT1 AAK1 874/4885ROCK2 908/4885ROCK1 1149/4885
US-20070270427-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 AAK1 874/4885ROCK2 908/4885ROCK1 1149/4885
US-20070292513-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 AAK1 874/4885ROCK2 908/4885ROCK1 1149/4885

“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.