SCHEMBL5814937

SCHEMBL5814937

O=C(Cc1ccccc1)Nc1ccc2[nH]c(-c3cn[nH]c3)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.52
NAMPT P43490 2/20 0.51
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CLK2 P49760 1/20 0.48
CLK3 P49761 1/20 0.48
DYRK1A Q13627 1/20 0.48
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
PPARG P37231 1/20 0.46
ALDH1A1 P00352 2/20 0.46
ROCK1 Q13464 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
AURKA O14965 1/20 0.44

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
SCHEMBL6479954 0.93 ROCK2 (0.51) ROCK2NAMPTMEN1KMT2ACLK2
SCHEMBL5754607 0.85 NAMPT (0.71) ROCK2NAMPTROCK1
SCHEMBL5760150 0.84 ROCK2 (0.64) ROCK2NAMPTNPC1RAB9AROCK1
SCHEMBL6481076 0.84 PDE10A (0.51) ROCK2NAMPTMEN1KMT2ACLK2
SCHEMBL5820065 0.83 NPC1 (0.59) ROCK2NAMPTMEN1KMT2ANPC1
SCHEMBL5815787 0.82 KCNQ2 (0.49) ROCK2NAMPTMEN1KMT2AKDM4E
SCHEMBL17407608 0.80 ROCK2 (0.77) ROCK2MEN1KMT2AROCK1
SCHEMBL5789255 0.80 PARP14 (0.50) ROCK2CLK2CLK3DYRK1AKDM4E
SCHEMBL5756127 0.78 TNIK (0.50) ROCK2NAMPTROCK1AURKA
SCHEMBL5754846 0.77 ROCK2 (0.47) ROCK2NAMPTCLK2CLK3DYRK1A

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 ROCK2 600/4885NAMPT 1257/4885MEN1 2784/4885

“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.