SCHEMBL10105808

SCHEMBL10105808

[C-]#[N+]c1ccc(Nc2ncnc(OC(C)C)c2F)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.41
EGFR P00533 5/20 0.36
MKNK2 Q9HBH9 3/20 0.36
SRC P12931 1/20 0.35
FGFR1 P11362 1/20 0.34
FLT1 P17948 1/20 0.34
EPHB2 P29323 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
MKNK1 Q9BUB5 2/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
EIF4E P06730 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL10105801 0.90 MKNK2 (0.39) GPR119EGFRMKNK2FGFR1FLT1
SCHEMBL10116444 0.88 GPR119 (0.37) GPR119EGFRMKNK2SRCMKNK1
SCHEMBL10105820 0.86 SRC (0.39) GPR119EGFRMKNK2SRCFGFR1
SCHEMBL10116417 0.84 GPR119 (0.37) GPR119EGFRSRCFGFR1FLT1
SCHEMBL10105775 0.84 GPR119 (0.34) GPR119EGFRMKNK2SRCKDR
SCHEMBL10105823 0.83 SRC (0.34) MKNK2SRC
SCHEMBL10105778 0.81 GPR119 (0.41) GPR119EGFRMKNK2FGFR1FLT1
SCHEMBL10106233 0.81 EGFR (0.39) GPR119EGFRSRCFGFR1FLT1
SCHEMBL10120666 0.80 GPR119 (0.59) GPR119MKNK2MKNK1EIF4E
SCHEMBL10105805 0.79 KMO (0.37) EGFRKDRLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8907095-B2 Bicyclic heterocycle derivatives and their use as modulators of the activity of GPR119 MERCK SHARP & DOHME CORP. (US) 2014-12-09 US disclosed
US-20120040975-A1 BRIDGED BICYCLIC HETEROCYCLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME CORP. 2012-02-16 US disclosed
US-20110212938-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS MODULATORS OF THE ACTIVITY OF GPR119 SCHERING CORPORATION 2011-09-01 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 (2 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
US-20110212938-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND THEIR USE AS MODULATORS OF THE ACTIVITY OF GPR119 GPR119, GPR88, GPR180 GPR119 1/4885EGFR 2717/4885MKNK2 1880/4885

“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.