SCHEMBL2238775

SCHEMBL2238775

COc1ccc(C(F)(F)F)cc1NC(=O)Nc1ccc(-c2cncc(NN)c2C#N)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 12/20 0.55
KDR P35968 4/20 0.47
PDGFRB P09619 3/20 0.47
BRAF P15056 1/20 0.46
CSF1R P07333 1/20 0.44
KIT P10721 1/20 0.44
FLT1 P17948 1/20 0.44
FLT3 P36888 1/20 0.44
TEK Q02763 1/20 0.44
NAMPT P43490 1/20 0.44
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
CHEK1 O14757 1/20 0.42

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
SCHEMBL2239105 0.84 RAF1 (0.52) RAF1KDRPDGFRBBRAFCSF1R
SCHEMBL12424677 0.78 KDR (0.59) KDRPDGFRBCSF1RKITFLT1
SCHEMBL3851409 0.77 RAF1 (0.54) RAF1KDRPDGFRBBRAFCSF1R
SCHEMBL2236827 0.77 KDR (0.78) RAF1KDRPDGFRBBRAFCSF1R
SCHEMBL2235566 0.76 KDR (0.59) KDRPDGFRBCSF1RKITFLT1
SCHEMBL2238477 0.76 DYRK3 (0.47) RAF1BRAFNAMPTCHEK1
SCHEMBL5445313 0.75 RAF1 (0.60) RAF1KDRBRAF
SCHEMBL4247303 0.74 MEN1 (0.64) RAF1BRAF
SCHEMBL3476076 0.74 RAF1 (0.61) RAF1BRAF
SCHEMBL4243486 0.74 RAF1 (0.61) RAF1KDRBRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 disclosed
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 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 RAF1 541/4885KDR 2947/4885PDGFRB 1523/4885
US-20080039491-A1 SUBSTITUTED PYRAZOLOPYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE DPYD, TYMP, PCK2 RAF1 541/4885KDR 2947/4885PDGFRB 1523/4885

“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.