SCHEMBL3672610

SCHEMBL3672610

c1cc2[nH]ncc2cc1-c1cn(CC2CCOCC2)nn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 14/20 1.00
GSK3B P49841 13/20 1.00
AURKB Q96GD4 10/20 1.00
CDC7 O00311 6/20 1.00
RPS6KB1 P23443 4/20 1.00
MAPK1 P28482 4/20 1.00
ROCK1 Q13464 4/20 1.00
DYRK1A Q13627 4/20 1.00
CDK1 P06493 3/20 1.00
CDK2 P24941 3/20 1.00
SGK2 Q9HBY8 3/20 1.00
DAPK3 O43293 2/20 1.00
AKT1 P31749 2/20 1.00
CSNK2A1 P68400 2/20 1.00
CDK5 Q00535 2/20 1.00
CLK2 P49760 2/20 1.00
CSNK1G2 P78368 2/20 1.00
CLK4 Q9HAZ1 2/20 1.00
DYRK3 O43781 1/20 1.00
PRKG1 Q13976 1/20 1.00

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
SCHEMBL4293399 0.76 CDC7 (0.71) ROCK2GSK3BAURKBCDC7RPS6KB1
SCHEMBL3666012 0.74 ROCK2 (1.00) ROCK2GSK3BAURKBCDC7RPS6KB1
SCHEMBL3668081 0.74 CDC7 (1.00) ROCK2GSK3BAURKBCDC7RPS6KB1
SCHEMBL3664275 0.73 ROCK2 (1.00) ROCK2GSK3BAURKBCDC7RPS6KB1
SCHEMBL4285033 0.72 CDC7 (0.72) ROCK2GSK3BAURKBCDC7RPS6KB1
SCHEMBL3669811 0.72 ROCK2 (0.81) ROCK2GSK3BAURKBCDC7RPS6KB1
SCHEMBL3675062 0.72 ROCK2 (0.82) ROCK2GSK3BAURKBCDC7RPS6KB1
SCHEMBL4297782 0.72 ROCK2 (1.00) ROCK2GSK3BAURKBCDC7RPS6KB1
SCHEMBL3668670 0.72 ROCK2 (1.00) ROCK2GSK3BAURKBCDC7RPS6KB1
SCHEMBL4291361 0.71 CDC7 (0.71) ROCK2GSK3BAURKBCDC7RPS6KB1

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
US-8648069-B2 5-substituted indazoles as kinase inhibitors ABBVIE INC. (US) 2014-02-11 US 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
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 1/4885AURKB 125/4885
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS GSK3B, GSK3A, PIM3 ROCK2 48/4885GSK3B 1/4885AURKB 125/4885

“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.