SCHEMBL6524644

SCHEMBL6524644

CC(=O)Nc1ccc2c(c1)NC(=O)C2=Cc1ccc2[nH]nnc2c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.57
LRRK2 Q5S007 1/20 0.54
NOX4 Q9NPH5 1/20 0.53
NTRK3 Q16288 1/20 0.50
PDPK1 O15530 1/20 0.48
JAK3 P52333 1/20 0.46
KIT P10721 2/20 0.43
FLT4 P35916 2/20 0.43
FLT3 P36888 2/20 0.43
KDR P35968 1/20 0.43
CSF1R P07333 2/20 0.42
PDGFRB P09619 1/20 0.42

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
SCHEMBL6524639 1.00 GSK3B (0.57) GSK3BLRRK2NOX4NTRK3PDPK1
SCHEMBL6522958 0.93 GSK3B (0.67) GSK3BLRRK2NOX4PDPK1JAK3
SCHEMBL6522949 0.93 GSK3B (0.67) GSK3BLRRK2NOX4PDPK1JAK3
SCHEMBL12795021 0.92 GSK3B (0.57) GSK3BLRRK2NOX4NTRK3PDPK1
SCHEMBL12848341 0.85 GSK3B (0.67) GSK3BLRRK2NOX4PDPK1JAK3
SCHEMBL6524988 0.83 ROCK2 (0.60) GSK3BLRRK2NOX4NTRK3PDPK1
SCHEMBL6524984 0.83 ROCK2 (0.60) GSK3BLRRK2NOX4NTRK3PDPK1
SCHEMBL6523663 0.83 GSK3B (0.51) GSK3BLRRK2NOX4PDPK1
SCHEMBL6523692 0.83 GSK3B (0.51) GSK3BLRRK2NOX4PDPK1
SCHEMBL6522553 0.81 GSK3B (0.58) GSK3BLRRK2NOX4NTRK3PDPK1

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.