SCHEMBL10108025

SCHEMBL10108025

CC(C)Oc1ncnc(Nc2ccc(Cl)cc2C#N)c1F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.43
FLT1 P17948 4/20 0.41
KDR P35968 4/20 0.41
FGFR1 P11362 3/20 0.41
FLT4 P35916 2/20 0.41
EPHB2 P29323 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
EGFR P00533 3/20 0.39
MKNK2 Q9HBH9 3/20 0.39
MKNK1 Q9BUB5 2/20 0.39
ERBB2 P04626 1/20 0.39
SRC P12931 1/20 0.39
EIF4E P06730 1/20 0.39
P2RX3 P56373 1/20 0.37
AR P10275 1/20 0.36
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36

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
SCHEMBL10105774 0.90 GPR119 (0.46) GPR119FLT1KDRFGFR1EGFR
SCHEMBL10121279 0.87 KDR (0.46) GPR119FLT1KDRFGFR1FLT4
SCHEMBL10108022 0.84 GPR119 (0.43) GPR119FLT1KDRFLT4EGFR
SCHEMBL10120666 0.82 GPR119 (0.59) GPR119MKNK2MKNK1EIF4E
SCHEMBL10105771 0.81 GPR119 (0.43) GPR119CNR1CNR2P2RX3
SCHEMBL10120569 0.81 EIF4E (0.51) GPR119FLT1KDRFGFR1FLT4
SCHEMBL10105794 0.79 GPR119 (0.44) GPR119MKNK2MKNK1EIF4E
SCHEMBL10105795 0.79 GPR119 (0.40) GPR119EGFRMKNK2MKNK1EIF4E
SCHEMBL10105772 0.76 KDR (0.52) GPR119FLT1KDRFGFR1EGFR
SCHEMBL10105808 0.73 GPR119 (0.41) GPR119FLT1KDRFGFR1FLT4

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 1/4885FLT1 850/4885KDR 464/4885

“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.