SCHEMBL6524786

SCHEMBL6524786

CC(=O)Nc1ccc2c(c1)C(=Cc1ccc3cn[nH]c3c1)C(=O)N2

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.68
NOX4 Q9NPH5 1/20 0.63
LRRK2 Q5S007 1/20 0.62
PDPK1 O15530 2/20 0.57
ROCK2 O75116 1/20 0.52
ROCK1 Q13464 1/20 0.52
JAK3 P52333 1/20 0.52
AKT2 P31751 1/20 0.48
PAK1 Q13153 1/20 0.46
TLK2 Q86UE8 1/20 0.46
APP P05067 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL6524773 1.00 GSK3B (0.68) GSK3BNOX4LRRK2PDPK1ROCK2
SCHEMBL6522553 0.93 GSK3B (0.58) GSK3BNOX4LRRK2PDPK1ROCK2
SCHEMBL6522544 0.93 GSK3B (0.58) GSK3BNOX4LRRK2PDPK1ROCK2
SCHEMBL6525123 0.87 GSK3B (0.52) GSK3BNOX4LRRK2PAK1TLK2
SCHEMBL6525122 0.87 GSK3B (0.52) GSK3BNOX4LRRK2PAK1TLK2
SCHEMBL3720334 0.86 GSK3B (0.56) GSK3BNOX4LRRK2PDPK1PAK1
SCHEMBL3720338 0.86 GSK3B (0.56) GSK3BNOX4LRRK2PDPK1PAK1
SCHEMBL3720332 0.86 GSK3B (0.56) GSK3BNOX4LRRK2PDPK1PAK1
SCHEMBL6524984 0.84 ROCK2 (0.60) GSK3BNOX4LRRK2PDPK1ROCK2
SCHEMBL6524988 0.84 ROCK2 (0.60) GSK3BNOX4LRRK2PDPK1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765748-B2 Indazolyl, benzimidazolyl, benzotriazolyl substituted indolinone derivatives as kinase inhibitors useful in the treatment of cancer UNIVERSITY HEALTH NETWORK (CA) 2014-07-01 US disclosed
US-20110065702-A1 INDAZOLYL, BENZIMIDAZOLYL, BENZOTRIAZOLYL SUBSTITUTED INDOLINONE DERIVATIVES AS KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER UNIVERSITY HEALTH NETWORK 2011-03-17 US 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 (1 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-20110065702-A1 INDAZOLYL, BENZIMIDAZOLYL, BENZOTRIAZOLYL SUBSTITUTED INDOLINONE DERIVATIVES AS KINASE INHIBITORS USEFUL IN THE TREATMENT OF CANCER TNNI3K, ABL1, TK1 GSK3B 621/4885NOX4 3628/4885LRRK2 254/4885

“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.