SCHEMBL5754607

SCHEMBL5754607

O=C(NCc1ccccc1)Nc1ccc2[nH]c(-c3cn[nH]c3)cc2c1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.71
ROCK2 O75116 13/20 0.67
ROCK1 Q13464 2/20 0.63
IMPDH2 P12268 1/20 0.53
ITK Q08881 1/20 0.52

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
SCHEMBL5760150 0.87 ROCK2 (0.64) NAMPTROCK2ROCK1IMPDH2ITK
SCHEMBL5814937 0.85 ROCK2 (0.52) NAMPTROCK2ROCK1
SCHEMBL23320521 0.83 NAMPT (1.00) NAMPTROCK2ROCK1IMPDH2ITK
SCHEMBL5755746 0.83 NAMPT (0.51) NAMPTROCK2ROCK1
SCHEMBL5820065 0.81 NPC1 (0.59) NAMPTROCK2ITK
SCHEMBL5756127 0.81 TNIK (0.50) NAMPTROCK2ROCK1
SCHEMBL3249722 0.81 ROCK2 (1.00) NAMPTROCK2ROCK1
SCHEMBL6481076 0.78 PDE10A (0.51) NAMPTROCK2ROCK1ITK
SCHEMBL6479954 0.78 ROCK2 (0.51) NAMPTROCK2ROCK1
SCHEMBL5643084 0.78 ROCK2 (1.00) ROCK2ROCK1IMPDH2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1648884-A2 PYRAZOLYL-INDOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2006-04-26 EP disclosed
US-20050032869-A1 Pyrazolyl-indole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PHARMACIA ITALIA S.P.A. (IT) 2005-02-10 US disclosed
WO-2005005414-A2 PYRAZOLYL-INDOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2005-01-20 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 (1 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-20050032869-A1 Pyrazolyl-indole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K9, MAP3K20, MAP3K19 NAMPT 1257/4885ROCK2 600/4885ROCK1 522/4885

“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.