SCHEMBL2240127

SCHEMBL2240127

COc1ccc(C(F)(F)F)cc1NC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 12/20 0.53
BRAF P15056 1/20 0.50
PDGFRB P09619 1/20 0.49
KDR P35968 1/20 0.49
MAPT P10636 4/20 0.48
LMNA P02545 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HTT P42858 1/20 0.48
RECQL P46063 1/20 0.48
NAMPT P43490 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL2237877 0.92 KDR (0.47) RAF1BRAFPDGFRBKDRMAPT
SCHEMBL2238649 0.89 CYP1A2 (0.56) RAF1BRAFPDGFRBKDRMAPT
SCHEMBL2237867 0.86 PDGFRB (0.48) RAF1BRAFPDGFRBKDRMEN1
SCHEMBL12346307 0.86 MEN1 (0.53) PDGFRBKDRMAPTHTTMEN1
SCHEMBL31212719 0.86 KDR (0.61) PDGFRBKDR
SCHEMBL57825 0.86 KDR (0.61) PDGFRBKDR
SCHEMBL58537 0.85 CHRNA7 (0.51) BRAFPDGFRBKDRMAPTLMNA
SCHEMBL2236665 0.84 KDR (0.49) PDGFRBKDRMAPTHTTMEN1
SCHEMBL4247303 0.81 MEN1 (0.64) RAF1BRAFMAPTLMNAHTT
SCHEMBL4243486 0.81 RAF1 (0.61) RAF1BRAFKDRMAPTLMNA

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 9 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-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
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 RAF1 541/4885BRAF 130/4885PDGFRB 1523/4885
US-20080039491-A1 SUBSTITUTED PYRAZOLOPYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE DPYD, TYMP, PCK2 RAF1 541/4885BRAF 130/4885PDGFRB 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.