SCHEMBL2265181

SCHEMBL2265181

NC(=O)c1n[nH]cc1NCc1cccc(NC(=O)Nc2ccc(C(F)(F)F)cc2F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 5/20 0.50
RPS6KB1 P23443 4/20 0.50
KCNMA1 Q12791 1/20 0.49
IGF1R P08069 6/20 0.49
LYN P07948 2/20 0.49
IKBKB O14920 1/20 0.49
CHUK O15111 1/20 0.49
SYK P43405 1/20 0.49
MAPK8 P45983 1/20 0.49
MAPK10 P53779 1/20 0.49
AURKB Q96GD4 3/20 0.49
RXFP1 Q9HBX9 2/20 0.46
KDR P35968 2/20 0.46
ABL1 P00519 1/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
CSF1R P07333 1/20 0.46
KIT P10721 1/20 0.46
SRC P12931 1/20 0.46
FLT1 P17948 1/20 0.46

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
SCHEMBL3817528 0.93 AURKA (0.50) AURKARPS6KB1KCNMA1AURKBRXFP1
Hydrochloric Acid SCHEMBL2266121 0.92 AURKA (0.49) AURKARPS6KB1KCNMA1AURKBRXFP1
SCHEMBL12245102 0.91 KCNMA1 (0.60) AURKARPS6KB1KCNMA1AURKBRXFP1
Trifluoroacetic Acid SCHEMBL2268397 0.91 AURKA (0.48) AURKARPS6KB1KCNMA1AURKBRXFP1
SCHEMBL12297307 0.90 AURKA (0.49) AURKARPS6KB1KCNMA1AURKBRXFP1
SCHEMBL3817574 0.90 AURKA (0.51) AURKARPS6KB1KCNMA1AURKBRXFP1
SCHEMBL1061183 0.89 BRAF (0.42) AURKARPS6KB1KCNMA1IGF1RLYN
Hydrochloric Acid SCHEMBL13386416 0.89 BRAF (0.42) AURKARPS6KB1KCNMA1IGF1RLYN
SCHEMBL2266637 0.89 AURKA (0.49) AURKARPS6KB1KCNMA1AURKBRXFP1
Trifluoroacetic Acid SCHEMBL2272491 0.88 KCNMA1 (0.57) AURKARPS6KB1KCNMA1AURKBRXFP1

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 claimed
US-7989439-B2 Substituted pyrazoles, compositions containing these, method of production and use SANOFI-AVENTIS (FR) 2011-08-02 US claimed
US-20090291984-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE SANOFI-AVENTIS (FR) 2009-11-26 US claimed
EP-2091920-A2 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE Sanofi-Aventis (FR) 2009-08-26 EP claimed
WO-2008065282-A2 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE SANOFI-AVENTIS (FR) 2008-06-05 WO claimed
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

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 AURKA 693/4885RPS6KB1 422/4885KCNMA1 901/4885
US-20090291984-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE CYP4B1, ADORA1, CYP1B1 AURKA 719/4885RPS6KB1 310/4885KCNMA1 678/4885
US-20110237641-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE ADORA3, ADORA2B, CYP4B1 AURKA 693/4885RPS6KB1 422/4885KCNMA1 901/4885

“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.