SCHEMBL6522553

SCHEMBL6522553

CC(=O)Nc1ccc2c(c1)NC(=O)C2=Cc1ccc2cn[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.58
LRRK2 Q5S007 1/20 0.55
NOX4 Q9NPH5 1/20 0.54
ROCK2 O75116 1/20 0.51
ROCK1 Q13464 1/20 0.51
NTRK3 Q16288 1/20 0.51
PDPK1 O15530 1/20 0.48
JAK3 P52333 1/20 0.46
CSF1R P07333 4/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
KIT P10721 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43
FLT3 P36888 1/20 0.43

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
SCHEMBL6522544 1.00 GSK3B (0.58) GSK3BLRRK2NOX4ROCK2ROCK1
SCHEMBL6524773 0.93 GSK3B (0.68) GSK3BLRRK2NOX4ROCK2ROCK1
SCHEMBL6524786 0.93 GSK3B (0.68) GSK3BLRRK2NOX4ROCK2ROCK1
SCHEMBL6524984 0.92 ROCK2 (0.60) GSK3BLRRK2NOX4ROCK2ROCK1
SCHEMBL6524988 0.92 ROCK2 (0.60) GSK3BLRRK2NOX4ROCK2ROCK1
SCHEMBL3716869 0.87 GSK3B (0.48) GSK3BLRRK2NOX4CSF1R
SCHEMBL3716868 0.87 GSK3B (0.48) GSK3BLRRK2NOX4CSF1R
SCHEMBL3716865 0.87 GSK3B (0.48) GSK3BLRRK2NOX4CSF1R
SCHEMBL12795021 0.83 GSK3B (0.57) GSK3BLRRK2NOX4NTRK3PDPK1
SCHEMBL6525123 0.82 GSK3B (0.52) GSK3BLRRK2NOX4ALDH1A1MAPT

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 621/4885LRRK2 254/4885NOX4 3628/4885

“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.