SCHEMBL1820744

SCHEMBL1820744

Cc1cncc(NC(=O)N2CCCc3ccc(-c4cccc(C(F)(F)F)c4)nc32)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 7/20 0.45
▸ PHGDH O43175 1/20 0.45
▸ HTR2C P28335 6/20 0.44
▸ HTR2A P28223 4/20 0.44
▸ P2RX1 P51575 1/20 0.44
▸ SCN10A Q9Y5Y9 1/20 0.43
▸ CYP11B2 P19099 2/20 0.42
▸ HTR2B P41595 3/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ DHODH Q02127 1/20 0.39

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
SCHEMBL12654515 0.91 FGFR4 (0.45) FGFR4HTR2CHTR2AP2RX1CYP11B2
SCHEMBL12654516 0.89 P2RX1 (0.48) FGFR4HTR2CHTR2AP2RX1CA2
SCHEMBL12959055 0.89 FGFR4 (0.42) FGFR4HTR2CHTR2ACYP11B2
SCHEMBL12654400 0.88 P2RX1 (0.46) FGFR4PHGDHHTR2CHTR2AP2RX1
SCHEMBL12654501 0.87 FGFR4 (0.43) FGFR4HTR2CHTR2ACYP11B2
SCHEMBL12959040 0.86 PHGDH (0.45) FGFR4PHGDHHTR2CHTR2ASCN10A
SCHEMBL12654530 0.85 CA2 (0.44) FGFR4PHGDHHTR2CHTR2AP2RX1
SCHEMBL12654623 0.84 FGFR4 (0.46) FGFR4PHGDHHTR2CHTR2ASCN10A
SCHEMBL17655327 0.83 PHGDH (0.49) FGFR4PHGDHP2RX1
SCHEMBL12654639 0.83 FGFR4 (0.49) FGFR4HTR2CHTR2AP2RX1CYP1A2

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 FGFR4 1940/4885PHGDH 1399/4885HTR2C 3245/4885

“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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