SCHEMBL3636281

SCHEMBL3636281

O=C(NCc1cccc(C(F)(F)F)c1)c1cc(-c2ccc3[nH]ncc3c2)on1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.58
GSK3B P49841 3/20 0.58
PIM1 P11309 2/20 0.58
DDR2 Q16832 1/20 0.56
AKT1 P31749 1/20 0.49
FAAH O00519 1/20 0.48
DYRK1A Q13627 3/20 0.48
ROCK1 Q13464 3/20 0.48
AURKA O14965 2/20 0.48
DAPK3 O43293 2/20 0.48
JAK2 O60674 2/20 0.48
FGFR1 P11362 2/20 0.48
PRKACA P17612 2/20 0.48
KDR P35968 2/20 0.48
GSK3A P49840 2/20 0.48
CDK5 Q00535 2/20 0.48
AURKB Q96GD4 2/20 0.48
CDK1 P06493 1/20 0.48
RPS6KB1 P23443 1/20 0.48
CDK2 P24941 1/20 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
SCHEMBL3634570 0.90 ROCK2 (0.61) ROCK2GSK3BPIM1AKT1FAAH
SCHEMBL3670364 0.86 ROCK2 (0.67) ROCK2GSK3BPIM1FAAHDYRK1A
SCHEMBL3668000 0.86 ROCK2 (0.61) ROCK2GSK3BPIM1DYRK1AROCK1
SCHEMBL3675839 0.83 RAB9A (0.67) ROCK2GSK3BPIM1DYRK1AROCK1
SCHEMBL3640238 0.83 ROCK2 (0.59) ROCK2GSK3BPIM1FAAHDYRK1A
SCHEMBL3671097 0.82 ROCK2 (0.66) ROCK2GSK3BPIM1DYRK1AROCK1
SCHEMBL5409267 0.81 DDR2 (0.69) ROCK2DDR2ROCK1HSP90AA1HSP90AB1
SCHEMBL3669367 0.81 ROCK2 (0.65) ROCK2GSK3BPIM1DYRK1AROCK1
SCHEMBL3636127 0.80 ROCK2 (0.61) ROCK2GSK3BPIM1FAAHDYRK1A
SCHEMBL3636663 0.80 ROCK2 (0.59) ROCK2GSK3BPIM1AKT1DYRK1A

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 1/4885PIM1 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.