SCHEMBL10120893

SCHEMBL10120893

N#Cc1ccc(Nc2ncnc(Cl)c2F)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 15/20 0.50
GRM5 P41594 1/20 0.41
SLC22A12 Q96S37 1/20 0.39
LRRK2 Q5S007 1/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 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
SCHEMBL12320356 0.88 GPR119 (0.49) GPR119GRM5LRRK2PDK1PDK2
SCHEMBL10120506 0.84 GPR119 (0.55) GPR119LRRK2
SCHEMBL10120542 0.82 GPR119 (0.42) GPR119GRM5SLC22A12LRRK2PDK1
SCHEMBL15381343 0.82 GPR119 (0.54) GPR119
SCHEMBL10120666 0.81 GPR119 (0.59) GPR119LRRK2
SCHEMBL15381348 0.78 GPR119 (0.52) GPR119LRRK2
SCHEMBL10134274 0.78 GPR119 (0.53) GPR119PDK1PDK2PDK3PDK4
SCHEMBL10121102 0.76 GPR119 (0.50) GPR119PDK1PDK2PDK3PDK4
SCHEMBL10120548 0.76 GPR119 (0.72) GPR119
SCHEMBL4268138 0.76 DYRK1A (0.43) GPR119

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
US-8907095-B2 Bicyclic heterocycle derivatives and their use as modulators of the activity of GPR119 MERCK SHARP & DOHME CORP. (US) 2014-12-09 US disclosed
US-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2012-02-16 US disclosed
US-20110212938-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS MODULATORS OF THE ACTIVITY OF GPR119 SCHERING CORPORATION 2011-09-01 US disclosed
WO-2010114958-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF SCHERING CORPORATION (US) 2010-10-07 WO 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-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF GPR119, BDKRB2, GLP1R GPR119 1/4885GRM5 261/4885SLC22A12 1953/4885
US-20110212938-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS MODULATORS OF THE ACTIVITY OF GPR119 GPR119, GPR88, GPR180 GPR119 1/4885GRM5 286/4885SLC22A12 535/4885

“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.