SCHEMBL12805950

SCHEMBL12805950

O=C(Nc1cccc(OC[C@H](O)CO)n1)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 3/20 0.45
▸ GPR52 Q9Y2T5 1/20 0.37
▸ GPR142 Q7Z601 2/20 0.37
▸ RAF1 P04049 4/20 0.36
▸ SCN9A Q15858 4/20 0.36
▸ PRMT5 O14744 1/20 0.36
▸ WDR77 Q9BQA1 1/20 0.36
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ TRPV3 Q8NET8 1/20 0.35
▸ FAAH O00519 1/20 0.34
▸ KIF18A Q8NI77 1/20 0.34
▸ CNR2 P34972 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
SCHEMBL12805953 1.00 FGFR4 (0.45) FGFR4GPR52GPR142RAF1SCN9A
SCHEMBL12959030 1.00 FGFR4 (0.45) FGFR4GPR52GPR142RAF1SCN9A
SCHEMBL12653828 0.92 FGFR4 (0.45) FGFR4GPR52GPR142RAF1SCN9A
SCHEMBL18415689 0.90 FGFR4 (0.43) FGFR4GPR142RAF1SCN9APRMT5
SCHEMBL18415688 0.90 FGFR4 (0.43) FGFR4GPR142RAF1SCN9APRMT5
SCHEMBL17655352 0.90 FGFR4 (0.43) FGFR4GPR142RAF1SCN9APRMT5
SCHEMBL12653773 0.90 FGFR4 (0.38) FGFR4GPR52RAF1PRMT5WDR77
SCHEMBL17655444 0.89 FGFR4 (0.42) FGFR4GPR52GPR142RAF1PRMT5
SCHEMBL17655412 0.88 FGFR4 (0.46) FGFR4GPR52GPR142RAF1CA2
SCHEMBL17655353 0.88 RAF1 (0.39) FGFR4GPR52RAF1CA2CA9

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 6 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
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
US-20120252780-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2012-10-04 — — 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-20120252780-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FGFR4 1940/4885GPR52 3134/4885GPR142 2256/4885

“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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