SCHEMBL12653772

SCHEMBL12653772

O=C(Nc1ccncn1)N1CCOc2ccc(-c3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 2/20 0.52
▸ MPL P40238 1/20 0.45
▸ GPR142 Q7Z601 3/20 0.44
▸ FYN P06241 1/20 0.40
▸ KMO O15229 1/20 0.40
▸ SCN9A Q15858 9/20 0.40
▸ SCN5A Q14524 5/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ FAAH O00519 2/20 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
SCHEMBL12653771 0.90 FGFR4 (0.54) FGFR4GPR142KMOSCN9ACA2
SCHEMBL12654380 0.89 FGFR4 (0.52) FGFR4GPR142KMOCA2CA9
SCHEMBL12654624 0.89 FGFR4 (0.44) FGFR4GPR142FYNKMOSCN9A
SCHEMBL12958969 0.88 FGFR4 (0.49) FGFR4GPR142KMOCA9FAAH
SCHEMBL12653800 0.88 GPR142 (0.53) FGFR4GPR142KMOCA2CA9
SCHEMBL12654416 0.87 FGFR4 (0.49) FGFR4MPLGPR142FYNSCN9A
SCHEMBL12959025 0.86 FGFR4 (0.59) FGFR4GPR142FYNKMOSCN9A
SCHEMBL12654642 0.86 MPL (0.43) FGFR4MPLGPR142FYNKMO
SCHEMBL12654617 0.85 GPR142 (0.53) FGFR4GPR142FAAH
SCHEMBL17655342 0.85 MPL (0.47) FGFR4MPLFYNKMOCA2

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 1940/4885MPL 1128/4885GPR142 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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