SCHEMBL3670140

SCHEMBL3670140

O=C(c1cc(-c2ccc3[nH]ncc3c2)on1)N1CCC[C@@H](O)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 1.00
CLK4 Q9HAZ1 4/20 1.00
ROCK1 Q13464 4/20 1.00
STK17A Q9UEE5 3/20 1.00
CLK2 P49760 3/20 1.00
RPS6KB1 P23443 2/20 1.00
DYRK3 O43781 1/20 1.00
MKNK2 Q9HBH9 1/20 1.00
CSNK1G1 Q9HCP0 1/20 1.00
DYRK1A Q13627 4/20 0.76
GSK3B P49841 4/20 0.54
PIM1 P11309 3/20 0.54
AURKA O14965 3/20 0.50
DAPK3 O43293 3/20 0.50
GSK3A P49840 3/20 0.50
CDK5 Q00535 3/20 0.50
PRKACA P17612 2/20 0.50
RPS6KA3 P51812 2/20 0.50
CHEK2 O96017 2/20 0.50
CDK2 P24941 2/20 0.50

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
SCHEMBL3638290 1.00 ROCK2 (1.00) ROCK2CLK4ROCK1STK17ACLK2
SCHEMBL3675055 0.88 ROCK2 (1.00) ROCK2CLK4ROCK1STK17ACLK2
SCHEMBL3666769 0.87 ROCK2 (1.00) ROCK2CLK4ROCK1STK17ACLK2
SCHEMBL3673647 0.84 ROCK2 (0.72) ROCK2CLK4ROCK1STK17ACLK2
SCHEMBL4287675 0.81 ROCK2 (0.82) ROCK2CLK4ROCK1STK17ACLK2
SCHEMBL3675178 0.81 ROCK2 (0.81) ROCK2CLK4ROCK1STK17ACLK2
SCHEMBL3670619 0.79 ROCK2 (0.73) ROCK2CLK4ROCK1STK17ACLK2
SCHEMBL3668422 0.78 SCD (0.70) ROCK2CLK4ROCK1STK17ACLK2
SCHEMBL3673041 0.76 SCD (0.66) ROCK2CLK4ROCK1STK17ACLK2
SCHEMBL3666006 0.75 ROCK2 (0.73) ROCK2CLK4ROCK1STK17ACLK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 48/4885CLK4 260/4885ROCK1 83/4885
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS GSK3B, GSK3A, PIM3 ROCK2 48/4885CLK4 260/4885ROCK1 83/4885

“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.