SCHEMBL588613

SCHEMBL588613

Cn1nc2cc(N)ccc2c1COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.37
AURKA O14965 1/20 0.37
CSNK1A1 P48729 1/20 0.37
CDK8 P49336 1/20 0.37
NEK2 P51955 1/20 0.37
LIMK1 P53667 1/20 0.37
CDK5 Q00535 1/20 0.37
DYRK1A Q13627 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
KIF11 P52732 1/20 0.35
KMT2A Q03164 5/20 0.35
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 4/20 0.35
KDM4E B2RXH2 4/20 0.35
MAPT P10636 3/20 0.35
NPC1 O15118 2/20 0.35
STAT1 P42224 1/20 0.35
RAB9A P51151 1/20 0.35
ACSS2 Q9NR19 1/20 0.34
NSD2 O96028 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
SCHEMBL588388 0.80 L3MBTL1 (0.42) KMT2AALDH1A1MEN1MAPTNPC1
SCHEMBL27964997 0.65 MAPT (0.46) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL588669 0.65 ALDH1A1 (0.46) CHEK1AURKACSNK1A1CDK8NEK2
Hydrochloric Acid SCHEMBL27089989 0.64 KDM4E (0.44) CHEK1AURKACSNK1A1CDK8NEK2
Hydrochloric Acid SCHEMBL17107839 0.64 KDM4E (0.44) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL14011219 0.62 PDE5A (0.37) CHEK1KMT2AALDH1A1MEN1KDM4E
SCHEMBL23277267 0.61 KIF11 (0.35) KIF11KMT2AMEN1TK1
SCHEMBL1488716 0.60 CSNK1A1 (0.48) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL23320350 0.60 CHEK1 (0.62) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL15986351 0.59 MPO (0.37) ALDH1A1LMNAATM

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 13 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-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 CHEK1 500/4885AURKA 446/4885CSNK1A1 3710/4885
US-20070015756-A1 Chemical compounds KDR, FLT4, FLT1 CHEK1 73/4885AURKA 450/4885CSNK1A1 2953/4885
US-20100105712-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 CHEK1 73/4885AURKA 450/4885CSNK1A1 2953/4885
US-20120277258-A1 Chemical Compounds KDR, FLT4, FLT1 CHEK1 73/4885AURKA 450/4885CSNK1A1 2953/4885
US-20070270427-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 CHEK1 73/4885AURKA 450/4885CSNK1A1 2953/4885
US-20070292513-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 CHEK1 73/4885AURKA 450/4885CSNK1A1 2953/4885

“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.