SCHEMBL2264236

SCHEMBL2264236

CC(=O)c1cccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.58
GRIK1 P39086 3/20 0.57
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
BRAF P15056 1/20 0.54
RAB9A P51151 2/20 0.53
MAPT P10636 1/20 0.53
HTT P42858 1/20 0.53
MTOR P42345 1/20 0.53
IDH1 O75874 1/20 0.53
RIPK1 Q13546 2/20 0.52
NPC1 O15118 1/20 0.52
EPHX2 P34913 1/20 0.52
NTRK1 P04629 1/20 0.52
CDK19 Q9BWU1 1/20 0.52

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
SCHEMBL14014078 0.86 GRIK1 (0.60) KDRGRIK1CA12CA1CA2
SCHEMBL5271094 0.84 KDR (0.69) KDRGRIK1CA12CA1CA2
SCHEMBL16008793 0.84 GRIK1 (0.58) KDRGRIK1CA12CA1CA2
SCHEMBL2265083 0.81 KDR (0.58) KDRGRIK1CA12CA1CA2
SCHEMBL16008166 0.81 KDR (0.85) KDRGRIK1CA12CA1CA2
SCHEMBL16008163 0.81 KDR (0.85) KDRGRIK1CA12CA1CA2
SCHEMBL16008165 0.81 KDR (0.85) KDRGRIK1CA12CA1CA2
SCHEMBL31504025 0.81 KDR (0.64) KDRCA12CA1CA2CA9
SCHEMBL13541769 0.79 CA12 (0.69) KDRCA12CA1CA2CA9
SCHEMBL17664213 0.79 KDR (0.67) KDRGRIK1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091920-B1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE SANOFI SA (FR) 2014-10-22 EP disclosed
CN-101553473-B Substituted pyrazoles, compositions containing them, methods of production and uses SANOFI AVENTIS 2013-06-05 CN disclosed
US-8420824-B2 Substituted pyrazoles, compositions containing these, method of production and use SANOFI (FR) 2013-04-16 US disclosed
US-8410286-B2 Substituted pyrazoles, compositions containing these, method of production and use SANOFI-AVENTIS (FR) 2013-04-02 US disclosed
US-20110237801-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE SANOFI-AVENTIS (FR) 2011-09-29 US disclosed
US-20110237641-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE SANOFI-AVENTIS (FR) 2011-09-29 US disclosed
US-7989439-B2 Substituted pyrazoles, compositions containing these, method of production and use SANOFI-AVENTIS (FR) 2011-08-02 US disclosed
US-20090291984-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE SANOFI-AVENTIS (FR) 2009-11-26 US disclosed
CN-101553473-A Substituted pyrazoles, compositions containing them, methods of production and uses SANOFI AVENTIS (FR) 2009-10-07 CN disclosed
EP-2091920-A2 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE Sanofi-Aventis (FR) 2009-08-26 EP disclosed
WO-2008065282-A2 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE SANOFI-AVENTIS (FR) 2008-06-05 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 (3 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-20110237801-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE ADORA3, ADORA2B, CYP4B1 KDR 3964/4885GRIK1 1614/4885CA12 4509/4885
US-20090291984-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE CYP4B1, ADORA1, CYP1B1 KDR 4006/4885GRIK1 1323/4885CA12 4562/4885
US-20110237641-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE ADORA3, ADORA2B, CYP4B1 KDR 3964/4885GRIK1 1614/4885CA12 4509/4885

“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.