SCHEMBL2264918

SCHEMBL2264918

CN(Cc1cccc(N)c1)c1c[nH]nc1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.40
ALDH1A1 P00352 1/20 0.36
RPS6KB1 P23443 2/20 0.35
AURKA O14965 1/20 0.35
PARP1 P09874 3/20 0.35
ROCK2 O75116 1/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
AOC3 Q16853 2/20 0.34
ABHD6 Q9BV23 1/20 0.33
LMNA P02545 1/20 0.33
HAO1 Q9UJM8 2/20 0.33

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
SCHEMBL2268989 0.86 HSD11B1 (0.37) HSD11B1RPS6KB1AURKAPARP1ROCK2
SCHEMBL27757928 0.76 HSD11B1 (0.34) HSD11B1ALDH1A1PARP1ROCK2ABHD6
SCHEMBL2264874 0.73 RPS6KB1 (0.50) RPS6KB1AURKAPARP1ROCK2
SCHEMBL2269001 0.73 ADRB2 (0.41) RPS6KB1AURKAPARP1ROCK2
SCHEMBL2264927 0.71 RPS6KB1 (0.40) ALDH1A1RPS6KB1AURKAPARP1ROCK2
SCHEMBL2268996 0.69 RPS6KB1 (0.39) RPS6KB1AURKAPARP1ROCK2
SCHEMBL24166883 0.67 HSD11B1 (0.58) HSD11B1ALDH1A1AOC3
SCHEMBL3650924 0.67 HSD11B1 (0.58) HSD11B1ALDH1A1AOC3
SCHEMBL3441981 0.65 HSD11B1 (0.53) HSD11B1TLR9TLR8TLR7AOC3
SCHEMBL309116 0.65 ALDH1A1 (0.54) HSD11B1ALDH1A1

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 HSD11B1 922/4885ALDH1A1 354/4885RPS6KB1 422/4885
US-20090291984-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE CYP4B1, ADORA1, CYP1B1 HSD11B1 756/4885ALDH1A1 242/4885RPS6KB1 310/4885
US-20110237641-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE ADORA3, ADORA2B, CYP4B1 HSD11B1 922/4885ALDH1A1 354/4885RPS6KB1 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.