SCHEMBL17094792

SCHEMBL17094792

CC(C)[C@H](NC(=O)[C@H](C)NC(=O)O)C(=O)N1c2ncccc2C[C@H]1C(=O)Nc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
XIAP P98170 13/20 0.49
LMNA P02545 1/20 0.41
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
ELANE P08246 1/20 0.38
MALT1 Q9UDY8 1/20 0.38
SRC P12931 1/20 0.38

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
SCHEMBL18473888 0.93 XIAP (0.58) XIAP
SCHEMBL16481811 0.93 XIAP (0.58) XIAP
SCHEMBL16481952 0.93 XIAP (0.58) XIAP
SCHEMBL16481931 0.90 XIAP (0.48) XIAPLMNAFNTAFNTBELANE
SCHEMBL18474042 0.90 XIAP (0.48) XIAPLMNAFNTAFNTBELANE
SCHEMBL17094850 0.90 XIAP (0.46) XIAPLMNAFNTAFNTBELANE
SCHEMBL17094849 0.90 XIAP (0.46) XIAPLMNAFNTAFNTBELANE
SCHEMBL16463742 0.89 XIAP (0.47) XIAPLMNAFNTAFNTBELANE
SCHEMBL18473983 0.89 XIAP (0.47) XIAPLMNAFNTAFNTBELANE
SCHEMBL16481917 0.86 XIAP (0.62) XIAPLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2906559-B1 AZAINDOLINES HOFFMANN LA ROCHE (CH) 2017-02-08 EP disclosed
US-9309248-B2 Azaindolines HOFFMANN-LA ROCHE INC. (US) 2016-04-12 US disclosed
US-20150266879-A1 AZAINDOLINES HOFFMANN-LA ROCHE INC. 2015-09-24 US disclosed
US-20150080426-A1 BENZOQUINOLINE INHIBITORS OF VMAT 2 AUSPEX PHARMACEUTICALS, INC. 2015-03-19 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 (2 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-20150266879-A1 AZAINDOLINES AZI2, H1-5, CCNY XIAP 1979/4885LMNA 3580/4885FNTA 4388/4885
US-20150080426-A1 BENZOQUINOLINE INHIBITORS OF VMAT 2 SLC18A2, ACAT2, SLC6A2 XIAP 2654/4885LMNA 2477/4885FNTA 770/4885

“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.