SCHEMBL10121276

SCHEMBL10121276

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.40
FLT1 P17948 2/20 0.35
KDR P35968 2/20 0.35
FGFR1 P11362 1/20 0.35
EPHB2 P29323 1/20 0.35
FLT4 P35916 1/20 0.35
CCR4 P51679 1/20 0.35
EGFR P00533 2/20 0.34
SRC P12931 1/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
BTK Q06187 1/20 0.34
ERBB2 P04626 1/20 0.34
EPHA2 P29317 1/20 0.34
EPHB4 P54760 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
SCHEMBL10120520 0.88 KDR (0.38) GPR119FLT1KDRFGFR1EPHB2
SCHEMBL10105794 0.88 GPR119 (0.44) GPR119
SCHEMBL10120506 0.80 GPR119 (0.55) GPR119FLT1KDRFGFR1FLT4
SCHEMBL10121279 0.78 KDR (0.46) GPR119FLT1KDRFGFR1EPHB2
SCHEMBL10105795 0.76 GPR119 (0.40) GPR119EGFRMAPK13MAPK12MAPK11
SCHEMBL10120507 0.75 GPR119 (0.51) GPR119FLT1KDRFGFR1EPHB2
SCHEMBL10121275 0.74 GPR119 (0.45) GPR119FLT1KDRFLT4EGFR
SCHEMBL12319936 0.71 GPR119 (0.58) GPR119EGFRSRC
SCHEMBL10120452 0.70 KDR (0.61) GPR119FLT1KDRFGFR1EPHB2
SCHEMBL10120519 0.69 GPR119 (0.58) GPR119FLT1KDRFGFR1EPHB2

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.