SCHEMBL3666928

SCHEMBL3666928

c1ccc(CNc2c(-c3ccc4[nH]ncc4c3)nc3ccccn23)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.62
GSK3B P49841 4/20 0.62
AURKB Q96GD4 2/20 0.62
PIM1 P11309 2/20 0.62
NR1H4 Q96RI1 8/20 0.55
BRD4 O60885 1/20 0.54
CDK2 P24941 3/20 0.53
CDC7 O00311 2/20 0.53
PRKACA P17612 2/20 0.53
CLK4 Q9HAZ1 2/20 0.53
CCNE1 P24864 1/20 0.53
DBF4 Q9UBU7 1/20 0.53
RPS6KB1 P23443 1/20 0.53
MAPK1 P28482 1/20 0.53
CLK2 P49760 1/20 0.53
GSK3A P49840 1/20 0.53
PRKX P51817 1/20 0.53
ROCK1 Q13464 1/20 0.53
DYRK1A Q13627 1/20 0.53
PKN2 Q16513 1/20 0.53

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
SCHEMBL3636482 0.84 GSK3B (0.71) ROCK2GSK3BAURKBPIM1NR1H4
SCHEMBL3670035 0.83 ROCK2 (0.66) ROCK2GSK3BAURKBPIM1CDK2
SCHEMBL27101755 0.82 BRD4 (0.59) NR1H4BRD4L3MBTL1CDK9KDM4E
SCHEMBL12351573 0.81 PLAU (0.72) NR1H4BRD4PLAUL3MBTL1CASP3
SCHEMBL3664701 0.81 PIM1 (0.57) ROCK2GSK3BAURKBPIM1CDK2
SCHEMBL20889527 0.80 PIM1 (0.64) ROCK2GSK3BAURKBPIM1BRD4
SCHEMBL21319436 0.78 NR1H4 (0.77) NR1H4BRD4PLAUL3MBTL1KDM4E
SCHEMBL2987066 0.78 KDM4E (0.69) NR1H4BRD4MAPK1PLAUL3MBTL1
SCHEMBL3668362 0.77 AURKB (0.71) ROCK2GSK3BAURKBPIM1CDK2
SCHEMBL27101851 0.77 CDK9 (0.61) NR1H4BRD4MAPK1PLAUL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9163007-B2 5-substituted indazoles as kinase inhibitors ABBVIE INC. (US) 2015-10-20 US claimed
US-20140343066-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-11-20 US 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
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 1/4885AURKB 125/4885
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS GSK3B, GSK3A, PIM3 ROCK2 48/4885GSK3B 1/4885AURKB 125/4885

“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.