SCHEMBL3667253

SCHEMBL3667253

CN1CCC(C(=O)n2nc(N)c3cc(-c4cn(Cc5ccccc5)nn4)ccc32)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 1.00
MAPK1 P28482 5/20 1.00
GSK3B P49841 5/20 1.00
CLK2 P49760 4/20 1.00
CSNK1G2 P78368 4/20 1.00
CLK4 Q9HAZ1 4/20 1.00
SGK2 Q9HBY8 4/20 1.00
DYRK3 O43781 3/20 1.00
GSK3A P49840 2/20 1.00
PRKG1 Q13976 2/20 1.00
CSNK1G1 Q9HCP0 2/20 1.00
CSNK1G3 Q9Y6M4 2/20 1.00
CDC7 O00311 15/20 0.49
PRKACA P17612 5/20 0.48
CDK2 P24941 5/20 0.48
KDR P35968 4/20 0.48
MAPK13 O15264 4/20 0.48
DAPK3 O43293 4/20 0.48
CDK1 P06493 4/20 0.48
CSNK1D P48730 4/20 0.48

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
SCHEMBL3668369 0.86 ROCK2 (0.75) ROCK2MAPK1GSK3BCLK2CSNK1G2
SCHEMBL3672059 0.84 ROCK2 (0.71) ROCK2MAPK1GSK3BCLK2CSNK1G2
Hydrochloric Acid SCHEMBL3669154 0.82 ROCK2 (0.68) ROCK2MAPK1GSK3BCLK2CSNK1G2
SCHEMBL3666082 0.80 ROCK2 (0.66) ROCK2MAPK1GSK3BCLK2CSNK1G2
SCHEMBL3667784 0.79 ROCK2 (0.65) ROCK2MAPK1GSK3BCLK2CSNK1G2
SCHEMBL27788231 0.74 ROCK2 (0.58) ROCK2MAPK1GSK3BCLK2CSNK1G2
SCHEMBL28787688 0.69 DYRK3 (0.52) ROCK2MAPK1GSK3BCLK2CSNK1G2
SCHEMBL4293715 0.66 CDC7 (1.00) ROCK2MAPK1GSK3BCLK2CSNK1G2
SCHEMBL4294218 0.66 CDC7 (0.65) ROCK2MAPK1GSK3BCLK2CSNK1G2
Acetic Acid SCHEMBL28328686 0.66 CYP19A1 (0.82) GSK3BKDRTEKHDAC3HDAC4

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 12 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
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 48/4885MAPK1 199/4885GSK3B 1/4885
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS GSK3B, GSK3A, PIM3 ROCK2 48/4885MAPK1 199/4885GSK3B 1/4885

“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.