SCHEMBL2238490

SCHEMBL2238490

Nc1n[nH]c2ccnc(-c3ccc(NC(=O)Nc4cc(F)ccc4F)cc3)c12

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 19/20 0.84
FLT3 P36888 11/20 0.62
KIT P10721 9/20 0.62
CSF1R P07333 8/20 0.62
FLT4 P35916 8/20 0.62
LYN P07948 7/20 0.62
FLT1 P17948 7/20 0.62
SRC P12931 6/20 0.62
BLK P51451 6/20 0.62
AURKA O14965 4/20 0.62
AURKB Q96GD4 4/20 0.62
PLK4 O00444 3/20 0.62
ROCK2 O75116 3/20 0.62
CDK1 P06493 3/20 0.62
MET P08581 3/20 0.62
PRKACA P17612 3/20 0.62
RPS6KB1 P23443 3/20 0.62
CSNK1D P48730 3/20 0.62
CSNK2A1 P68400 3/20 0.62
STK3 Q13188 3/20 0.62

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
SCHEMBL1703071 0.91 KDR (1.00) KDRFLT3KITCSF1RFLT4
SCHEMBL2241743 0.90 KDR (0.76) KDRFLT3KITCSF1RFLT4
SCHEMBL1702780 0.90 KDR (0.77) KDRFLT3KITCSF1RFLT4
SCHEMBL1702874 0.88 KDR (0.77) KDRFLT3KITCSF1RFLT4
SCHEMBL1703611 0.87 KDR (0.78) KDRFLT3KITCSF1RFLT4
SCHEMBL1702904 0.86 KDR (0.79) KDRFLT3KITCSF1RFLT4
SCHEMBL1702955 0.86 KDR (1.00) KDRFLT3KITCSF1RFLT4
SCHEMBL1702788 0.84 KDR (0.76) KDRFLT3KITCSF1RFLT4
SCHEMBL2237406 0.83 KDR (0.78) KDRFLT3KITCSF1RFLT4
SCHEMBL1702820 0.81 KDR (1.00) KDRFLT3KITCSF1RFLT4

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190337-A1 SUBSTITUTED PYRAZOLOPYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AVENTIS PHARMA S.A.. (FR) 2011-08-04 US claimed
EP-1845978-B1 SUBSTITUTED PYRAZOLO-PYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AVENTIS PHARMA SA (FR) 2010-08-18 EP claimed
US-20080039491-A1 SUBSTITUTED PYRAZOLOPYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AVENTIS PHARMA S.A. (FR) 2008-02-14 US claimed
EP-1845978-A1 SUBSTITUTED PYRAZOLO-PYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE Aventis Pharma S.A. (FR) 2007-10-24 EP claimed
WO-2006077319-A1 SUBSTITUTED PYRAZOLO-PYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AVENTIS PHARMA S.A. (FR) 2006-07-27 WO claimed
US-8008322-B2 Substituted pyrazolopyridines, compositions containing them, method for the production thereof, and their use AVENTIS PHARMA S.A. (FR) 2011-08-30 US disclosed
US-8008322-B2 Substituted pyrazolopyridines, compositions containing them, method for the production thereof, and their use AVENTIS PHARMA S.A. (FR) 2011-08-30 US disclosed
US-8008322-B2 Substituted pyrazolopyridines, compositions containing them, method for the production thereof, and their use AVENTIS PHARMA S.A. (FR) 2011-08-30 US disclosed
US-20110190337-A1 SUBSTITUTED PYRAZOLOPYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AVENTIS PHARMA S.A.. (FR) 2011-08-04 US disclosed
US-20110190337-A1 SUBSTITUTED PYRAZOLOPYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AVENTIS PHARMA S.A.. (FR) 2011-08-04 US disclosed
US-20110190337-A1 SUBSTITUTED PYRAZOLOPYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AVENTIS PHARMA S.A.. (FR) 2011-08-04 US disclosed
EP-1845978-B1 SUBSTITUTED PYRAZOLO-PYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AVENTIS PHARMA SA (FR) 2010-08-18 EP disclosed
US-20080039491-A1 SUBSTITUTED PYRAZOLOPYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AVENTIS PHARMA S.A. (FR) 2008-02-14 US disclosed
US-20080039491-A1 SUBSTITUTED PYRAZOLOPYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AVENTIS PHARMA S.A. (FR) 2008-02-14 US disclosed
US-20080039491-A1 SUBSTITUTED PYRAZOLOPYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE AVENTIS PHARMA S.A. (FR) 2008-02-14 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 (2 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-20110190337-A1 SUBSTITUTED PYRAZOLOPYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE DPYD, TYMP, PCK2 KDR 2947/4885FLT3 121/4885KIT 358/4885
US-20080039491-A1 SUBSTITUTED PYRAZOLOPYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE DPYD, TYMP, PCK2 KDR 2947/4885FLT3 121/4885KIT 358/4885

“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.