SCHEMBL10120508

SCHEMBL10120508

COc1c(Nc2ccc(C#N)cc2Cl)ncnc1OC(C)C

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 17/20 0.51
EIF4E P06730 1/20 0.48
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
LRRK2 Q5S007 1/20 0.43
SRC P12931 1/20 0.39

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
SCHEMBL10120568 0.90 GPR119 (0.54) GPR119LRRK2SRC
SCHEMBL10120454 0.89 GPR119 (0.47) GPR119EIF4EMKNK1MKNK2LRRK2
SCHEMBL10134285 0.87 GPR119 (0.55) GPR119EIF4EMKNK1MKNK2LRRK2
SCHEMBL10120666 0.86 GPR119 (0.59) GPR119EIF4EMKNK1MKNK2LRRK2
SCHEMBL10120558 0.86 GPR119 (0.51) GPR119LRRK2SRC
SCHEMBL10105792 0.85 GPR119 (0.53) GPR119EIF4EMKNK1MKNK2LRRK2
SCHEMBL10120490 0.81 GPR119 (0.47) GPR119LRRK2SRC
SCHEMBL10134276 0.81 GPR119 (0.50) GPR119LRRK2SRC
SCHEMBL12319936 0.81 GPR119 (0.58) GPR119LRRK2SRC
SCHEMBL10105820 0.80 SRC (0.39) GPR119MKNK2LRRK2SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2012-02-16 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-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF GPR119, BDKRB2, GLP1R GPR119 1/4885EIF4E 3412/4885MKNK1 1553/4885

“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.