SCHEMBL589284

SCHEMBL589284

Cc1nn(C(=O)OC(C)(C)C)c2cc(Nc3nc(Cl)ncc3F)ccc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.47
ITK Q08881 6/20 0.47
SYK P43405 5/20 0.41
ROCK2 O75116 1/20 0.40
CHEK2 O96017 1/20 0.40
PRKACA P17612 1/20 0.40
RPS6KA3 P51812 1/20 0.40
PAK1 Q13153 1/20 0.40
ROCK1 Q13464 1/20 0.40
DYRK1A Q13627 1/20 0.40
PRKD2 Q9BZL6 1/20 0.40
BTK Q06187 2/20 0.38
BCL6 P41182 2/20 0.38
AURKB Q96GD4 1/20 0.35
ALK Q9UM73 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35

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
SCHEMBL20611784 0.83 EGFR (0.65) EGFRITKSYKROCK2CHEK2
SCHEMBL588615 0.82 AAK1 (0.38) EGFRITKSYKROCK2CHEK2
SCHEMBL588525 0.80 TUBB4A (0.33) EGFRITK
SCHEMBL16356864 0.77 EGFR (0.40) EGFRITKSYKROCK2CHEK2
SCHEMBL21341692 0.77 EGFR (0.46) EGFRITKSYKROCK2CHEK2
SCHEMBL24709490 0.75 ROCK2 (0.54) EGFRITKSYKROCK2CHEK2
SCHEMBL20617778 0.74 ROCK2 (0.56) EGFRITKSYKROCK2CHEK2
SCHEMBL8212259 0.74 MAP2K4 (0.40)
SCHEMBL30493899 0.74 SYK (0.40) EGFRITKSYKBTKALK
SCHEMBL655235 0.73 NR1H2 (0.53) EGFRSYKROCK2ALKJAK2

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 20 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
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-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
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

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 EGFR 353/4885ITK 1240/4885SYK 903/4885
US-20070015756-A1 Chemical compounds KDR, FLT4, FLT1 EGFR 59/4885ITK 1181/4885SYK 463/4885
US-20100105712-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 EGFR 59/4885ITK 1181/4885SYK 463/4885
US-20120277258-A1 Chemical Compounds KDR, FLT4, FLT1 EGFR 59/4885ITK 1181/4885SYK 463/4885
US-20070270427-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 EGFR 59/4885ITK 1181/4885SYK 463/4885
US-20070292513-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 EGFR 59/4885ITK 1181/4885SYK 463/4885

“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.