SCHEMBL12654402

SCHEMBL12654402

Cc1cccnc1NC(=O)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 2/20 0.46
▸ RAB9A P51151 1/20 0.43
▸ MAPT P10636 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ GPR142 Q7Z601 2/20 0.40
▸ TRPV1 Q8NER1 2/20 0.40
▸ KMO O15229 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ CTSA P10619 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ RAF1 P04049 2/20 0.37
▸ BRAF P15056 2/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37

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
SCHEMBL12654381 0.91 FGFR4 (0.46) FGFR4MAPTGPR142KMOCA2
SCHEMBL12654632 0.88 FGFR4 (0.46) FGFR4MAPTTHRBGPR142KMO
SCHEMBL12653771 0.85 FGFR4 (0.54) FGFR4RAB9AMAPTGPR142TRPV1
SCHEMBL12959021 0.85 FGFR4 (0.47) FGFR4MAPTGPR142CA2CA9
SCHEMBL12654091 0.85 GPR142 (0.46) FGFR4MAPTGPR142TRPV1KMO
SCHEMBL12654630 0.84 FGFR4 (0.46) FGFR4MAPTTHRBGPR142KMO
SCHEMBL12654380 0.84 FGFR4 (0.52) FGFR4GPR142KMOCA2CA9
SCHEMBL12959020 0.84 FGFR4 (0.47) FGFR4MAPTTHRBGPR142KMO
SCHEMBL12959028 0.84 FGFR4 (0.45) FGFR4MAPTTHRBGPR142TRPV1
SCHEMBL12653800 0.84 GPR142 (0.53) FGFR4MAPTGPR142KMOCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 — — US disclosed
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 — — US disclosed
EP-2493888-B1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-04-06 — — EP disclosed
US-20120252780-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2012-10-04 — — US disclosed
WO-2011059839-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-05-19 — — WO 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-20120252780-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FGFR4 1940/4885RAB9A 1343/4885MAPT 795/4885

“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.

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