SCHEMBL10105795

SCHEMBL10105795

Cc1c(F)ccc(Nc2ncnc(OC(C)C)c2F)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.40
MKNK2 Q9HBH9 10/20 0.38
MKNK1 Q9BUB5 6/20 0.38
EIF4E P06730 1/20 0.38
EGFR P00533 1/20 0.36
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL10105794 0.89 GPR119 (0.44) GPR119MKNK2MKNK1EIF4ECYP2C9
SCHEMBL10120520 0.87 KDR (0.38) GPR119MKNK2MKNK1EGFRMAPK13
SCHEMBL10120569 0.81 EIF4E (0.51) GPR119MKNK2MKNK1EIF4EEGFR
SCHEMBL10105774 0.79 GPR119 (0.46) GPR119MKNK2MKNK1EIF4EEGFR
SCHEMBL10108025 0.79 GPR119 (0.43) GPR119MKNK2MKNK1EIF4EEGFR
SCHEMBL10108022 0.78 GPR119 (0.43) GPR119MKNK2MKNK1EIF4EEGFR
SCHEMBL10120456 0.77 GPR119 (0.55) GPR119MKNK2MKNK1EIF4EEGFR
SCHEMBL10105772 0.77 KDR (0.52) GPR119MKNK2MKNK1EIF4EEGFR
SCHEMBL10105769 0.76 FLT1 (0.49) GPR119MKNK2EGFR
SCHEMBL10120666 0.76 GPR119 (0.59) GPR119MKNK2MKNK1EIF4E

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-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2012-02-16 US disclosed
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 1/4885MKNK2 1686/4885MKNK1 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.