SCHEMBL588757

SCHEMBL588757

Cc1nn(C(=O)OC(C)(C)C)c2cc(N(C)c3ccnc(Cl)n3)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
AAK1 Q2M2I8 2/20 0.35
KIT P10721 9/20 0.35
PDGFRA P16234 8/20 0.35
HDAC1 Q13547 7/20 0.35
HDAC6 Q9UBN7 7/20 0.35
HDAC3 O15379 5/20 0.35
HDAC4 P56524 5/20 0.35
HDAC7 Q8WUI4 5/20 0.35
HDAC2 Q92769 5/20 0.35
HDAC10 Q969S8 5/20 0.35
HDAC11 Q96DB2 5/20 0.35
HDAC8 Q9BY41 5/20 0.35
HDAC9 Q9UKV0 5/20 0.35
HDAC5 Q9UQL6 5/20 0.35
FLT1 P17948 4/20 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
SCHEMBL10187295 0.86 KDR (0.42) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL12975335 0.86 AAK1 (0.33) AAK1MAP2K4
SCHEMBL588525 0.83 TUBB4A (0.33) CYP3A4AAK1AURKACYP3A5MAP2K4
SCHEMBL20611800 0.81 AAK1 (0.36) AAK1SYKMAP2K4
SCHEMBL15638766 0.80 ROCK2 (0.42) AURKAMAP4K4TTKLIMK1TAOK1
SCHEMBL588615 0.78 AAK1 (0.38) KDRAAK1HDAC1HDAC6FLT1
SCHEMBL14634489 0.76 AAK1 (0.33) AAK1SYK
SCHEMBL7605898 0.75 ELANE (0.44) CYP3A4CYP2C19CYP1A2MAP2K4
SCHEMBL176840 0.72 ESR2 (0.41) MAP2K4
SCHEMBL14771754 0.71 SYK (0.35) AAK1AURKAACHESYK

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 14 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

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 KDR 5/4885CYP3A4 3720/4885CYP2D6 2590/4885
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.