SCHEMBL3671375

SCHEMBL3671375

c1ccc(Nc2nc(-c3ccc4[nH]ncc4c3)c(-c3ccccc3)s2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 13/20 1.00
GSK3B P49841 6/20 0.71
ROCK1 Q13464 7/20 0.61
CLK4 Q9HAZ1 5/20 0.61
CLK2 P49760 4/20 0.61
DYRK1A Q13627 4/20 0.61
DYRK3 O43781 3/20 0.61
PIM1 P11309 3/20 0.61
CDK2 P24941 3/20 0.61
MKNK2 Q9HBH9 3/20 0.61
MAP4K4 O95819 2/20 0.61
RPS6KB1 P23443 2/20 0.61
GSK3A P49840 2/20 0.61
PKN2 Q16513 2/20 0.61
BRSK1 Q8TDC3 2/20 0.61
AURKB Q96GD4 2/20 0.61
STK17A Q9UEE5 2/20 0.61
PRKD3 O94806 1/20 0.61
ROS1 P08922 1/20 0.61
FLT4 P35916 1/20 0.61

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
SCHEMBL3639415 0.83 ROCK2 (1.00) ROCK2GSK3BROCK1CLK4CLK2
SCHEMBL10686112 0.79 MEN1 (0.68) ROCK2KDRMEN1NPC1ALDH1A1
SCHEMBL3637752 0.76 ROCK2 (1.00) ROCK2GSK3BROCK1CLK4CLK2
SCHEMBL2455100 0.73 GSK3B (1.00) ROCK2GSK3BROCK1CLK4CLK2
SCHEMBL24137790 0.71 CCNC (0.63) ROCK2GSK3BROCK1CLK4CLK2
SCHEMBL5822564 0.71 EGFR (0.61) ROCK2GSK3BROCK1CLK4CLK2
SCHEMBL3670035 0.71 ROCK2 (0.66) ROCK2GSK3BROCK1CLK4CLK2
SCHEMBL3797990 0.70 ROCK2 (0.62) ROCK2GSK3BROCK1CLK4CLK2
SCHEMBL3668040 0.70 ROCK2 (0.64) ROCK2GSK3BROCK1CLK4CLK2
SCHEMBL3634021 0.68 ROCK2 (0.83) ROCK2GSK3BROCK1CLK4CLK2

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 48/4885GSK3B 1/4885ROCK1 83/4885
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS GSK3B, GSK3A, PIM3 ROCK2 48/4885GSK3B 1/4885ROCK1 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.