SCHEMBL2270586

SCHEMBL2270586

Cc1ccc(F)c(NC(=O)Nc2cccc(CNc3c[nH]nc3C(N)=O)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.49
RPS6KB1 P23443 4/20 0.49
AURKB Q96GD4 4/20 0.49
RAB9A P51151 3/20 0.48
KDR P35968 12/20 0.47
CSF1R P07333 3/20 0.47
KIT P10721 3/20 0.47
FLT1 P17948 3/20 0.47
FLT4 P35916 3/20 0.47
FLT3 P36888 3/20 0.47
LYN P07948 2/20 0.47
SRC P12931 2/20 0.47
BLK P51451 2/20 0.47
LCK P06239 2/20 0.47
FYN P06241 1/20 0.47
PARP1 P09874 1/20 0.46
MAPT P10636 3/20 0.45
NPC1 O15118 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL2271393 0.93 AURKA (0.49) AURKARPS6KB1AURKBRAB9AKDR
SCHEMBL3818696 0.91 AURKA (0.50) AURKARPS6KB1AURKBPARP1MAPT
SCHEMBL3818692 0.91 AURKA (0.49) AURKARPS6KB1AURKBRAB9APARP1
SCHEMBL3823084 0.89 AURKA (0.57) AURKARPS6KB1AURKBRAB9ACSF1R
SCHEMBL2271284 0.89 AURKA (0.49) AURKARPS6KB1AURKBPARP1MAPT
SCHEMBL3818277 0.89 AURKA (0.61) AURKARPS6KB1AURKBRAB9AKDR
SCHEMBL3823534 0.88 PARP1 (0.50) AURKARPS6KB1AURKBRAB9APARP1
SCHEMBL12298717 0.88 MAPT (0.58) AURKARPS6KB1AURKBRAB9APARP1
Trifluoroacetic Acid SCHEMBL2269109 0.88 AURKA (0.45) AURKARPS6KB1AURKBPARP1MAPT
SCHEMBL3817528 0.87 AURKA (0.50) AURKARPS6KB1AURKBKDRKIT

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 422/4885AURKB 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.