SCHEMBL6523692

SCHEMBL6523692

CC(C)NC(=O)Nc1ccc2c(c1)C(=Cc1ccc3[nH]nnc3c1)C(=O)N2

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.51
NOX4 Q9NPH5 1/20 0.48
LRRK2 Q5S007 1/20 0.46
RET P07949 3/20 0.45
PAK1 Q13153 1/20 0.45
PDPK1 O15530 1/20 0.43
TLK2 Q86UE8 2/20 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
SCHEMBL6523663 1.00 GSK3B (0.51) GSK3BNOX4LRRK2RETPAK1
SCHEMBL12848118 0.93 GSK3B (0.51) GSK3BNOX4LRRK2RETPAK1
SCHEMBL6522949 0.88 GSK3B (0.67) GSK3BNOX4LRRK2PAK1PDPK1
SCHEMBL6522958 0.88 GSK3B (0.67) GSK3BNOX4LRRK2PAK1PDPK1
SCHEMBL6524639 0.83 GSK3B (0.57) GSK3BNOX4LRRK2PDPK1
SCHEMBL6524644 0.83 GSK3B (0.57) GSK3BNOX4LRRK2PDPK1
SCHEMBL6525122 0.82 GSK3B (0.52) GSK3BNOX4LRRK2RETPAK1
SCHEMBL6525123 0.82 GSK3B (0.52) GSK3BNOX4LRRK2RETPAK1
SCHEMBL12848341 0.80 GSK3B (0.67) GSK3BNOX4LRRK2PAK1PDPK1
SCHEMBL6524933 0.80 PDPK1 (0.57) GSK3BNOX4LRRK2PDPK1

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.