SCHEMBL3822247

SCHEMBL3822247

NC(=O)c1n[nH]cc1NCc1cccc(NC(=O)Nc2ccccc2C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 9/20 0.62
RPS6KB1 P23443 8/20 0.62
AURKB Q96GD4 7/20 0.62
PARP1 P09874 1/20 0.51
RXFP1 Q9HBX9 2/20 0.46
PDPK1 O15530 1/20 0.45
KCNMA1 Q12791 1/20 0.45
TP53 P04637 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
THRB P10828 1/20 0.42
RAB9A P51151 1/20 0.42
NOX1 Q9Y5S8 1/20 0.42
EPHX2 P34913 1/20 0.42
ABL1 P00519 1/20 0.41
EGFR P00533 1/20 0.41

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
Trifluoroacetic Acid SCHEMBL2266522 0.97 AURKA (0.60) AURKARPS6KB1AURKBPARP1RXFP1
SCHEMBL3821173 0.93 AURKA (0.54) AURKARPS6KB1AURKBPARP1RXFP1
Trifluoroacetic Acid SCHEMBL2264840 0.90 AURKA (0.52) AURKARPS6KB1AURKBPARP1RXFP1
SCHEMBL3818277 0.87 AURKA (0.61) AURKARPS6KB1AURKBPARP1PDPK1
SCHEMBL12245102 0.87 KCNMA1 (0.60) AURKARPS6KB1AURKBPARP1RXFP1
SCHEMBL12306874 0.87 AURKA (0.49) AURKARPS6KB1AURKBPARP1RXFP1
Trifluoroacetic Acid SCHEMBL2265237 0.87 AURKA (0.56) AURKARPS6KB1AURKBPARP1RXFP1
SCHEMBL2268136 0.87 TRPV1 (0.57) AURKARPS6KB1AURKBTRPV1FLT1
SCHEMBL3823518 0.87 AURKA (0.48) AURKARPS6KB1AURKBPARP1PDPK1
SCHEMBL12296699 0.87 AURKA (0.54) AURKARPS6KB1AURKBPARP1RXFP1

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 20 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
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
EP-2091920-B1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE SANOFI SA (FR) 2014-10-22 EP disclosed
EP-2091920-B1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE SANOFI SA (FR) 2014-10-22 EP disclosed
US-8420824-B2 Substituted pyrazoles, compositions containing these, method of production and use SANOFI (FR) 2013-04-16 US 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-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-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-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-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
US-20090291984-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE SANOFI-AVENTIS (FR) 2009-11-26 US 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
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 AURKA 693/4885RPS6KB1 422/4885AURKB 645/4885
US-20090291984-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE CYP4B1, ADORA1, CYP1B1 AURKA 719/4885RPS6KB1 310/4885AURKB 715/4885
US-20110237641-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE ADORA3, ADORA2B, CYP4B1 AURKA 693/4885RPS6KB1 422/4885AURKB 645/4885

“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.