SCHEMBL12654516

SCHEMBL12654516

Cc1cc(NC(=O)N2CCCc3ccc(-c4cccc(C(F)(F)F)c4)nc32)cc(C)n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 1/20 0.48
▸ FGFR4 P22455 7/20 0.45
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ HTR2C P28335 3/20 0.40
▸ HTR2A P28223 2/20 0.40
▸ KMO O15229 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SORT1 Q99523 1/20 0.39
▸ KDM1A O60341 1/20 0.39
▸ 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
SCHEMBL17655327 0.89 PHGDH (0.49) P2RX1FGFR4ADORA2A
SCHEMBL1820744 0.89 FGFR4 (0.45) P2RX1FGFR4CA2CA9HTR2C
SCHEMBL12654400 0.88 P2RX1 (0.46) P2RX1FGFR4CA2CA9HTR2C
SCHEMBL12654187 0.88 FGFR4 (0.42) P2RX1FGFR4MEN1ALDH1A1KMT2A
SCHEMBL12654517 0.86 FGFR4 (0.43) P2RX1FGFR4MEN1ALDH1A1KMT2A
SCHEMBL12654660 0.86 FGFR4 (0.46) FGFR4ADORA2ASORT1
SCHEMBL12654530 0.85 CA2 (0.44) P2RX1FGFR4CA2CA9HTR2C
SCHEMBL12654639 0.85 FGFR4 (0.49) P2RX1FGFR4CA2CA9HTR2C
SCHEMBL12654515 0.85 FGFR4 (0.45) P2RX1FGFR4CA2CA9HTR2C
SCHEMBL12654499 0.84 MEN1 (0.42) CA2CA9ADORA2AHTR2CHTR2A

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 P2RX1 777/4885FGFR4 1940/4885CA2 4329/4885

“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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