SCHEMBL6525211

SCHEMBL6525211

O=C1Nc2ccc(Cl)cc2C1=Cc1ccc2cn[nH]c2c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.62
PSEN1 P49768 6/20 0.62
PSEN2 P49810 6/20 0.62
APH1B Q8WW43 6/20 0.62
NCSTN Q92542 6/20 0.62
APH1A Q96BI3 6/20 0.62
PSENEN Q9NZ42 6/20 0.62
EGFR P00533 2/20 0.54
ERBB2 P04626 2/20 0.54
NOS1 P29475 1/20 0.52
DYRK1A Q13627 1/20 0.52
PDGFRB P09619 2/20 0.52

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
SCHEMBL6525204 1.00 LRRK2 (0.62) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL6525539 0.92 NOS1 (0.51) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL6525541 0.92 NOS1 (0.51) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL6525507 0.85 RPS6KA3 (0.54) PDGFRB
SCHEMBL6531204 0.85 MEN1 (0.52) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL3721457 0.85 APP (0.58) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL3711780 0.85 PLK4 (0.62) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL6526040 0.85 RPS6KA3 (0.54) PDGFRB
SCHEMBL3711781 0.85 PLK4 (0.62) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL3721460 0.85 APP (0.58) LRRK2PSEN1PSEN2APH1BNCSTN

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 LRRK2 254/4885PSEN1 3988/4885PSEN2 4071/4885

“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.