SCHEMBL3666082

SCHEMBL3666082

CN(C)CC(=O)n1nc(N)c2cc(-c3cn(Cc4ccccc4)nn3)ccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.66
GSK3B P49841 6/20 0.66
MAPK1 P28482 5/20 0.66
CLK2 P49760 5/20 0.66
CLK4 Q9HAZ1 4/20 0.66
CSNK1G2 P78368 4/20 0.66
SGK2 Q9HBY8 4/20 0.66
DYRK3 O43781 3/20 0.66
GSK3A P49840 2/20 0.66
PRKG1 Q13976 2/20 0.66
CSNK1G1 Q9HCP0 2/20 0.66
CSNK1G3 Q9Y6M4 2/20 0.66
CDC7 O00311 14/20 0.55
CDK2 P24941 6/20 0.55
PRKACA P17612 6/20 0.55
HIPK2 Q9H2X6 6/20 0.55
AURKB Q96GD4 5/20 0.55
DAPK3 O43293 5/20 0.55
CDK5 Q00535 5/20 0.55
DYRK1A Q13627 5/20 0.55

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
SCHEMBL3672059 0.87 ROCK2 (0.71) ROCK2GSK3BMAPK1CLK2CLK4
SCHEMBL3667784 0.83 ROCK2 (0.65) ROCK2GSK3BMAPK1CLK2CLK4
SCHEMBL3667253 0.80 ROCK2 (1.00) ROCK2GSK3BMAPK1CLK2CLK4
SCHEMBL3668369 0.78 ROCK2 (0.75) ROCK2GSK3BMAPK1CLK2CLK4
SCHEMBL27788231 0.77 ROCK2 (0.58) ROCK2GSK3BMAPK1CLK2CLK4
Hydrochloric Acid SCHEMBL3669154 0.71 ROCK2 (0.68) ROCK2GSK3BMAPK1CLK2CLK4
SCHEMBL4289209 0.71 CDC7 (1.00) ROCK2GSK3BMAPK1CLK2CLK4
SCHEMBL4300162 0.70 CDC7 (1.00) ROCK2GSK3BMAPK1CLK2CLK4
SCHEMBL28787688 0.70 DYRK3 (0.52) ROCK2GSK3BMAPK1CLK2CLK4
SCHEMBL3667438 0.70 CDC7 (0.72) ROCK2GSK3BMAPK1CLK2CLK4

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
CN-101790526-A 5-heteroaryl substituted indazoles as kinase inhibitors ABBOTT GMBH & CO KG 2010-07-28 CN claimed
EP-2167491-A1 5-HETEROARYL SUBSTITUTED INDAZOLES AS KINASE INHIBITORS Abbott Laboratories (US) 2010-03-31 EP claimed
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2009-08-13 US claimed
WO-2008154241-A1 5-HETEROARYL SUBSTITUTED INDAZOLES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2008-12-18 WO claimed
US-9163007-B2 5-substituted indazoles as kinase inhibitors ABBVIE INC. (US) 2015-10-20 US disclosed
US-20140343066-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-11-20 US disclosed
US-8648069-B2 5-substituted indazoles as kinase inhibitors ABBVIE INC. (US) 2014-02-11 US disclosed
CN-101790526-A 5-heteroaryl substituted indazoles as kinase inhibitors ABBOTT GMBH & CO KG 2010-07-28 CN disclosed
EP-2167491-A1 5-HETEROARYL SUBSTITUTED INDAZOLES AS KINASE INHIBITORS Abbott Laboratories (US) 2010-03-31 EP disclosed
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2009-08-13 US disclosed
WO-2008154241-A1 5-HETEROARYL SUBSTITUTED INDAZOLES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2008-12-18 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-20140343066-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS GSK3B, GSK3A, PIM3 ROCK2 48/4885GSK3B 1/4885MAPK1 199/4885
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS GSK3B, GSK3A, PIM3 ROCK2 48/4885GSK3B 1/4885MAPK1 199/4885

“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.