SCHEMBL2268423

SCHEMBL2268423

COc1ccc(C(C)(C)C)cc1NC(=O)Nc1cccc(CNc2c[nH]nc2C(N)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 6/20 0.50
AURKB Q96GD4 5/20 0.50
RPS6KB1 P23443 3/20 0.50
MAPK14 Q16539 1/20 0.48
MAPT P10636 6/20 0.47
HTT P42858 4/20 0.47
LMNA P02545 4/20 0.47
RECQL P46063 2/20 0.47
HSP90AA1 P07900 1/20 0.47
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
PDPK1 O15530 1/20 0.43
PARP1 P09874 2/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 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
SCHEMBL12298717 0.89 MAPT (0.58) AURKAAURKBRPS6KB1MAPTHTT
SCHEMBL3820934 0.89 MAPT (0.56) AURKAAURKBRPS6KB1MAPTHTT
SCHEMBL3822840 0.87 AURKA (0.63) AURKAAURKBRPS6KB1MAPTLMNA
SCHEMBL12391693 0.86 MAPK14 (0.48) AURKAAURKBRPS6KB1MAPK14MAPT
Trifluoroacetic Acid SCHEMBL2273445 0.86 MAPT (0.51) AURKAAURKBRPS6KB1MAPTHTT
Trifluoroacetic Acid SCHEMBL2269900 0.86 MAPT (0.52) AURKAAURKBRPS6KB1MAPTHTT
Trifluoroacetic Acid SCHEMBL2269640 0.84 AURKA (0.58) AURKAAURKBRPS6KB1MAPTLMNA
SCHEMBL3821817 0.82 AURKA (0.60) AURKAAURKBRPS6KB1MAPTHTT
SCHEMBL3822413 0.82 AURKA (0.54) AURKAAURKBRPS6KB1MAPTHTT
SCHEMBL3823921 0.82 HIF1A (0.54) AURKAAURKBRPS6KB1MAPTMEN1

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 9 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
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 693/4885AURKB 645/4885RPS6KB1 422/4885
US-20090291984-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE CYP4B1, ADORA1, CYP1B1 AURKA 719/4885AURKB 715/4885RPS6KB1 310/4885
US-20110237641-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE ADORA3, ADORA2B, CYP4B1 AURKA 693/4885AURKB 645/4885RPS6KB1 422/4885

“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.