SCHEMBL2264874

SCHEMBL2264874

NC(=O)c1n[nH]cc1NCc1cccc(N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 5/20 0.50
AURKA O14965 2/20 0.50
BPTF Q12830 1/20 0.44
ROCK2 O75116 3/20 0.43
ELANE P08246 1/20 0.42
TDO2 P48775 1/20 0.41
EGFR P00533 4/20 0.40
IGF1R P08069 4/20 0.40
CDC7 O00311 2/20 0.40
MAP4K4 O95819 2/20 0.40
GSK3B P49841 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
PIM1 P11309 1/20 0.40
CDK2 P24941 1/20 0.40
CD38 P28907 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
MKNK2 Q9HBH9 1/20 0.38
PARP1 P09874 1/20 0.38

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
SCHEMBL2264927 0.89 RPS6KB1 (0.40) RPS6KB1AURKABPTFROCK2ELANE
SCHEMBL2268996 0.87 RPS6KB1 (0.39) RPS6KB1AURKAROCK2GSK3BPARP1
SCHEMBL2269001 0.81 ADRB2 (0.41) RPS6KB1AURKABPTFROCK2NPC1
SCHEMBL3818291 0.79 PARP1 (0.52) RPS6KB1AURKANPC1RAB9APARP1
SCHEMBL3823084 0.78 AURKA (0.57) RPS6KB1AURKAROCK2NPC1RAB9A
SCHEMBL3824517 0.78 AURKA (0.57) RPS6KB1AURKAROCK2CDC7MAP4K4
SCHEMBL3823534 0.77 PARP1 (0.50) RPS6KB1AURKAROCK2NPC1RAB9A
SCHEMBL12245093 0.77 KMT2A (0.46) RPS6KB1AURKARAB9APARP1
SCHEMBL3819271 0.77 HIF1A (0.54) RPS6KB1AURKANPC1RAB9APARP1
SCHEMBL3818446 0.77 AURKA (0.58) RPS6KB1AURKAROCK2PARP1

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 10 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
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 RPS6KB1 422/4885AURKA 693/4885BPTF 4750/4885
US-20090291984-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE CYP4B1, ADORA1, CYP1B1 RPS6KB1 310/4885AURKA 719/4885BPTF 4756/4885
US-20110237641-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING THESE, METHOD OF PRODUCTION AND USE ADORA3, ADORA2B, CYP4B1 RPS6KB1 422/4885AURKA 693/4885BPTF 4750/4885

“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.