SCHEMBL10108022

SCHEMBL10108022

CC(C)Oc1ncnc(Nc2ccccc2C#N)c1F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.43
EGFR P00533 3/20 0.41
MKNK2 Q9HBH9 4/20 0.38
EIF4E P06730 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
FLT1 P17948 2/20 0.36
KDR P35968 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FLT4 P35916 1/20 0.36
SOS1 Q07889 1/20 0.35
AURKA O14965 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL10105774 0.87 GPR119 (0.46) GPR119EGFRMKNK2EIF4EMKNK1
SCHEMBL10121275 0.86 GPR119 (0.45) GPR119EGFRFLT1KDRFLT4
SCHEMBL10105769 0.84 FLT1 (0.49) GPR119EGFRMKNK2FLT1KDR
SCHEMBL10108025 0.84 GPR119 (0.43) GPR119EGFRMKNK2EIF4EMKNK1
SCHEMBL10120569 0.80 EIF4E (0.51) GPR119EGFRMKNK2EIF4EMKNK1
SCHEMBL10105795 0.78 GPR119 (0.40) GPR119EGFRMKNK2EIF4EMKNK1
SCHEMBL10105796 0.77 DCK (0.44) GPR119KDRALDH1A1SMN1; SMN2
SCHEMBL10120666 0.77 GPR119 (0.59) GPR119MKNK2EIF4EMKNK1
SCHEMBL10105794 0.76 GPR119 (0.44) GPR119MKNK2EIF4EMKNK1
SCHEMBL10105772 0.74 KDR (0.52) GPR119EGFRMKNK2EIF4EMKNK1

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 1/4885EGFR 1644/4885MKNK2 1686/4885

“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.