SCHEMBL3637270

SCHEMBL3637270

O=C(NC(CN1CCCC1)c1ccccc1)c1cc(-c2ccc3[nH]ncc3c2)on1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 14/20 0.60
ROCK1 Q13464 12/20 0.60
DYRK1A Q13627 5/20 0.57
CLK4 Q9HAZ1 4/20 0.57
STK17A Q9UEE5 3/20 0.57
GSK3B P49841 5/20 0.56
PIM1 P11309 3/20 0.56
AURKA O14965 5/20 0.54
DAPK3 O43293 4/20 0.54
GSK3A P49840 4/20 0.54
CDK5 Q00535 4/20 0.54
PRKACA P17612 4/20 0.54
CDK2 P24941 3/20 0.54
MARK3 P27448 3/20 0.54
CDK1 P06493 2/20 0.54
RPS6KA3 P51812 2/20 0.54
CHEK2 O96017 2/20 0.54
LIMK1 P53667 2/20 0.54
RPS6KB1 P23443 3/20 0.49
CLK2 P49760 3/20 0.49

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
SCHEMBL3667495 0.99 ROCK2 (0.59) ROCK2ROCK1DYRK1ACLK4STK17A
SCHEMBL3638927 0.93 ROCK2 (0.54) ROCK2ROCK1DYRK1ACLK4STK17A
SCHEMBL3635151 0.93 ROCK2 (0.56) ROCK2ROCK1DYRK1ACLK4STK17A
SCHEMBL4289901 0.86 ROCK2 (0.62) ROCK2ROCK1DYRK1ACLK4STK17A
SCHEMBL3632578 0.86 ROCK2 (0.62) ROCK2ROCK1DYRK1ACLK4STK17A
SCHEMBL4293116 0.86 ROCK2 (0.64) ROCK2ROCK1DYRK1ACLK4STK17A
SCHEMBL3640248 0.86 ROCK2 (0.64) ROCK2ROCK1DYRK1ACLK4STK17A
SCHEMBL3636925 0.86 ROCK2 (0.64) ROCK2ROCK1DYRK1ACLK4STK17A
SCHEMBL4288861 0.85 ROCK2 (0.60) ROCK2ROCK1DYRK1ACLK4STK17A
SCHEMBL4298337 0.85 ROCK2 (0.60) ROCK2ROCK1DYRK1ACLK4STK17A

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 48/4885ROCK1 83/4885DYRK1A 276/4885
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS GSK3B, GSK3A, PIM3 ROCK2 48/4885ROCK1 83/4885DYRK1A 276/4885

“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.