SCHEMBL10120520

SCHEMBL10120520

COc1ncnc(Nc2ccc(F)c(C)c2C#N)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.38
RET P07949 3/20 0.38
KIF5B P33176 3/20 0.38
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
FLT1 P17948 5/20 0.37
FGFR1 P11362 3/20 0.37
FLT4 P35916 2/20 0.37
EPHB2 P29323 1/20 0.37
GPR119 Q8TDV5 7/20 0.36
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
EGFR P00533 1/20 0.35
RAF1 P04049 1/20 0.34
BRAF P15056 1/20 0.34
FGFR2 P21802 1/20 0.34
FGFR4 P22455 1/20 0.34
FGFR3 P22607 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
SCHEMBL10121276 0.88 GPR119 (0.40) KDRFLT1FGFR1FLT4EPHB2
SCHEMBL10105795 0.87 GPR119 (0.40) MKNK1MKNK2GPR119MAPK13MAPK12
SCHEMBL10120507 0.79 GPR119 (0.51) KDRRETKIF5BFLT1FGFR1
SCHEMBL10121279 0.77 KDR (0.46) KDRRETKIF5BFLT1FGFR1
SCHEMBL10121275 0.76 GPR119 (0.45) KDRRETKIF5BFLT1FLT4
SCHEMBL10105794 0.76 GPR119 (0.44) MKNK1MKNK2GPR119
SCHEMBL10120506 0.75 GPR119 (0.55) KDRFLT1FGFR1FLT4GPR119
SCHEMBL10120452 0.74 KDR (0.61) KDRRETKIF5BMKNK1FLT1
SCHEMBL10120453 0.73 KDR (0.58) KDRRETKIF5BFLT1FGFR1
SCHEMBL10120519 0.73 GPR119 (0.58) KDRRETKIF5BMKNK2FLT1

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 KDR 464/4885RET 397/4885KIF5B 3965/4885

“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.