SCHEMBL2928696

SCHEMBL2928696

Nc1cc(C(=O)Nc2ccc3[nH]ncc3c2)c(N2CCOCC2)cc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
JAK2 O60674 4/20 0.51
JAK1 P23458 3/20 0.51
MAOB P27338 2/20 0.50
TRPV1 Q8NER1 3/20 0.49
MAPK14 Q16539 1/20 0.49
ROCK2 O75116 2/20 0.47
ROCK1 Q13464 2/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
RPS6KB1 P23443 1/20 0.47
CLK2 P49760 1/20 0.47
DYRK1A Q13627 1/20 0.47
PRKG1 Q13976 1/20 0.47
PRKD2 Q9BZL6 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
SGK2 Q9HBY8 1/20 0.47
STK17A Q9UEE5 1/20 0.47
LRRK2 Q5S007 1/20 0.47

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
SCHEMBL2928290 0.88 TRPV1 (0.53) NPC1RAB9AJAK2JAK1MAOB
SCHEMBL2925829 0.80 TRPV1 (0.53) NPC1RAB9AMAOBTRPV1MAP4K4
SCHEMBL2932080 0.78 TRPV1 (0.47) NPC1RAB9AJAK2JAK1MAOB
SCHEMBL2923962 0.78 TRPV1 (0.51) NPC1RAB9AMAOBTRPV1MAP4K4
SCHEMBL2928749 0.75 TRPV1 (0.52) NPC1RAB9ATRPV1LMNA
SCHEMBL13086185 0.75 TRPV1 (0.45) NPC1RAB9AJAK2JAK1MAOB
SCHEMBL2931671 0.74 NPC1 (0.49) NPC1RAB9AMAOBTRPV1MAP4K4
SCHEMBL17385299 0.73 MAOB (0.47) NPC1RAB9AJAK2JAK1MAOB
SCHEMBL7260007 0.73 NPC1 (0.54) NPC1RAB9AJAK2JAK1MAOB
SCHEMBL2931610 0.72 LMNA (0.44) NPC1RAB9AMAOBTRPV1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8377983-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2013-02-19 US disclosed
US-7820821-B2 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
US-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors TRANSTECH PHARMA, INC. (US) 2010-06-17 US disclosed
EP-1987028-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS Transtech Pharma, Inc. (US) 2008-11-05 EP disclosed
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors VTVX HOLDINGS I LLC 2007-09-20 US disclosed
WO-2007095124-A2 BENZAZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE AS AURORA KINASE INHIBITORS TRANSTECH PHARMA, INC. (US) 2007-08-23 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 (2 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-20100152170-A1 Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors AURKC, AURKA, AURKB NPC1 653/4885RAB9A 3858/4885JAK2 634/4885
US-20070219235-A1 Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors AURKC, AURKA, AURKB NPC1 653/4885RAB9A 3858/4885JAK2 634/4885

“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.