SCHEMBL1812181

SCHEMBL1812181

O=C(Nc1ccncn1)N1CCCC(F)(F)c2ccc(-c3cccc(Cl)c3)nc21

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 1/20 0.41
▸ FAAH O00519 6/20 0.39
▸ CNR2 P34972 2/20 0.39
▸ GRM5 P41594 3/20 0.38
▸ FGFR4 P22455 3/20 0.37
▸ USP30 Q70CQ3 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ KMO O15229 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ ALDH1A1 P00352 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
SCHEMBL12653784 0.90 CNR2 (0.51) FAAHCNR2GRM5FGFR4CNR1
SCHEMBL12654652 0.88 CNR2 (0.39) FAAHCNR2GRM5CNR1KMO
SCHEMBL12654219 0.87 FGFR4 (0.43) CNR2GRM5FGFR4CNR1CYP11B2
SCHEMBL12654413 0.85 GRM5 (0.45) CNR2GRM5CNR1
SCHEMBL17655398 0.84 FGFR4 (0.47) MPLFAAHCNR2GRM5FGFR4
SCHEMBL12654410 0.84 CNR2 (0.36) FAAHCNR2GRM5FGFR4CNR1
SCHEMBL12654653 0.84 HTR2A (0.48) FAAHCYP11B2
SCHEMBL12654654 0.83 CNR1 (0.39) FAAHCNR2CNR1KMOALDH1A1
SCHEMBL12654655 0.83 TP53 (0.40) FAAHCNR2CNR1KMOALDH1A1
SCHEMBL16775913 0.82 MPL (0.42) MPLFAAHCNR2GRM5CNR1

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 10 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
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
EP-2493888-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2012-09-05 — — EP disclosed
WO-2011059839-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-05-19 — — WO 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 MPL 1128/4885FAAH 1598/4885CNR2 1081/4885

“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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