SCHEMBL3668040

SCHEMBL3668040

c1ccc(Nc2c(-c3ccc4[nH]ncc4c3)nc3sccn23)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.64
GSK3B P49841 7/20 0.64
PIM1 P11309 5/20 0.64
KDR P35968 2/20 0.64
AURKB Q96GD4 4/20 0.55
DYRK3 O43781 4/20 0.53
CLK2 P49760 4/20 0.53
DYRK1A Q13627 4/20 0.53
CLK4 Q9HAZ1 4/20 0.53
PRKD3 O94806 2/20 0.53
MAP4K4 O95819 2/20 0.53
RPS6KB1 P23443 2/20 0.53
CDK2 P24941 2/20 0.53
GSK3A P49840 2/20 0.53
CSNK2A1 P68400 2/20 0.53
ROCK1 Q13464 2/20 0.53
PKN2 Q16513 2/20 0.53
TAOK1 Q7L7X3 2/20 0.53
PIM3 Q86V86 2/20 0.53
PRKD2 Q9BZL6 2/20 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
SCHEMBL3670035 0.82 ROCK2 (0.66) ROCK2GSK3BPIM1KDRAURKB
SCHEMBL3634021 0.80 ROCK2 (0.83) ROCK2GSK3BPIM1KDRAURKB
SCHEMBL3666498 0.79 AURKB (0.64) ROCK2GSK3BPIM1AURKBGAA
SCHEMBL3668038 0.78 PIM1 (1.00) ROCK2GSK3BPIM1KDRAURKB
SCHEMBL3668362 0.74 AURKB (0.71) ROCK2GSK3BPIM1KDRAURKB
SCHEMBL3636007 0.72 TUBB4A (0.72) ROCK2GSK3BPIM1AURKBGAA
SCHEMBL3668378 0.71 ROCK2 (1.00) ROCK2GSK3BPIM1KDRAURKB
SCHEMBL3671375 0.70 ROCK2 (1.00) ROCK2GSK3BPIM1KDRAURKB
SCHEMBL3637752 0.69 ROCK2 (1.00) ROCK2GSK3BPIM1KDRAURKB
SCHEMBL24620602 0.69 IDO1 (0.65) KDRGAAMAPTTP53POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885PIM1 11/4885
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS GSK3B, GSK3A, PIM3 ROCK2 48/4885GSK3B 1/4885PIM1 11/4885

“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.