SCHEMBL4496461

SCHEMBL4496461

CSc1ccc(N2CCc3c(F)ncnc32)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 19/20 0.42
EIF4E P06730 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
CYP2C9 P11712 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
SCHEMBL12170572 0.70 EIF4E (0.46) GPR119EIF4EMKNK1MKNK2CYP2C9
SCHEMBL4482969 0.68 GPR119 (0.39) GPR119EIF4EMKNK1MKNK2CYP2C9
SCHEMBL25669167 0.68 PARP1 (0.40)
SCHEMBL375962 0.67 GPR119 (0.61) GPR119CYP2C9
SCHEMBL4496039 0.65 HTT (0.35) GPR119CYP2C9
SCHEMBL21338846 0.63 OPRL1 (0.50) CYP2C9
SCHEMBL4503148 0.63 HTT (0.36) GPR119EIF4EMKNK1MKNK2CYP2C9
SCHEMBL13003776 0.63 ALDH1A1 (0.40)
SCHEMBL4494380 0.62 ALDH1A1 (0.39) GPR119EIF4EMKNK1MKNK2
SCHEMBL288160 0.61 ROCK1 (0.41) GPR119EIF4EMKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222261-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2012-07-17 US disclosed
US-20090318477-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2009-12-24 US disclosed
US-7504429-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-03-17 US disclosed
US-20060189577-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2006-08-24 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-20060189577-A1 Tyrosine kinase inhibitors ABL1, RET, ERBB2 GPR119 528/4885EIF4E 2045/4885MKNK1 249/4885
US-20090318477-A1 CHEMICAL COMPOUNDS GPR119, GOT2, SLC5A2 GPR119 1/4885EIF4E 3779/4885MKNK1 1352/4885

“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.