SCHEMBL3669334

SCHEMBL3669334

c1ccc(CCNc2nc(-c3ccc4[nH]ncc4c3)cs2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 10/20 1.00
AURKB Q96GD4 8/20 1.00
GSK3B P49841 9/20 0.80
DYRK1A Q13627 6/20 0.80
CDK2 P24941 6/20 0.80
ROCK1 Q13464 5/20 0.80
RPS6KB1 P23443 4/20 0.80
GSK3A P49840 4/20 0.80
CLK2 P49760 4/20 0.80
CLK4 Q9HAZ1 4/20 0.80
MAPK1 P28482 4/20 0.80
PRKACA P17612 3/20 0.80
PKN2 Q16513 2/20 0.80
BRSK1 Q8TDC3 2/20 0.80
MKNK2 Q9HBH9 2/20 0.80
STK17A Q9UEE5 2/20 0.80
PRKX P51817 1/20 0.80
PIM1 P11309 5/20 0.68
SGK2 Q9HBY8 3/20 0.67
CSNK2A1 P68400 2/20 0.67

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
SCHEMBL3665724 0.89 ROCK2 (1.00) ROCK2AURKBGSK3BDYRK1ACDK2
SCHEMBL12297936 0.82 KDM4E (0.70) ROCK2AURKBGSK3BDYRK1ACDK2
SCHEMBL3668478 0.81 AURKB (1.00) ROCK2AURKBGSK3BDYRK1ACDK2
SCHEMBL3637752 0.80 ROCK2 (1.00) ROCK2AURKBGSK3BDYRK1ACDK2
SCHEMBL12297576 0.79 GAA (0.82) ROCK2AURKBROCK1MAPK1KDM4E
Fanetizole SCHEMBL1813401 0.79 GAA (0.86) ROCK2AURKBROCK1MAPK1KDM4E
Fanetizole SCHEMBL11365554 0.78 GAA (0.84) ROCK2AURKBROCK1MAPK1KDM4E
SCHEMBL12297836 0.78 KDM4E (0.67) ROCK2AURKBGSK3BDYRK1ACDK2
SCHEMBL12297577 0.76 KDM4E (0.76) ROCK2AURKBROCK1MAPK1KDM4E
SCHEMBL12297921 0.74 SMN1; SMN2 (0.66) ROCK2AURKBMAPK1KDM4EHTT

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 48/4885AURKB 125/4885GSK3B 1/4885
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS GSK3B, GSK3A, PIM3 ROCK2 48/4885AURKB 125/4885GSK3B 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.