SCHEMBL2238649

SCHEMBL2238649

CCOc1ccc(C(F)(F)F)cc1NC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
CYP2C9 P11712 1/20 0.56
PDGFRB P09619 2/20 0.49
KDR P35968 2/20 0.49
IDH2 P48735 3/20 0.47
AURKA O14965 1/20 0.46
NTRK1 P04629 1/20 0.46
AURKB Q96GD4 1/20 0.46
RAF1 P04049 5/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.44
HTT P42858 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 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
SCHEMBL2240127 0.89 RAF1 (0.53) PDGFRBKDRRAF1KMT2AMEN1
SCHEMBL31212719 0.83 KDR (0.61) PDGFRBKDRAURKANTRK1AURKB
SCHEMBL12346307 0.83 MEN1 (0.53) PDGFRBKDRNTRK1AURKBKMT2A
SCHEMBL57825 0.83 KDR (0.61) PDGFRBKDRAURKANTRK1AURKB
SCHEMBL2237877 0.83 KDR (0.47) PDGFRBKDRRAF1KMT2AMEN1
SCHEMBL58537 0.83 CHRNA7 (0.51) CYP2C19PDGFRBKDRKMT2AMEN1
SCHEMBL2236665 0.82 KDR (0.49) CYP1A2CYP2C19CYP2C9PDGFRBKDR
SCHEMBL59604 0.78 KMT2A (0.61) PDGFRBKDRKMT2AMEN1ALDH1A1
SCHEMBL2237867 0.78 PDGFRB (0.48) PDGFRBKDRRAF1KMT2AMEN1
SCHEMBL59538 0.76 KDR (0.51) CYP1A2CYP2C19PDGFRBKDRIDH2

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 CYP1A2 826/4885CYP2C19 1304/4885CYP2C9 771/4885
US-20080039491-A1 SUBSTITUTED PYRAZOLOPYRIDINES, COMPOSITIONS CONTAINING THEM, METHOD FOR THE PRODUCTION THEREOF, AND THEIR USE DPYD, TYMP, PCK2 CYP1A2 826/4885CYP2C19 1304/4885CYP2C9 771/4885

“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.