SCHEMBL12654517

SCHEMBL12654517

Cc1csc(NC(=O)N2CCCc3ccc(-c4cccc(C(F)(F)F)c4)nc32)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 4/20 0.43
▸ RORC P51449 1/20 0.42
▸ CFTR P13569 1/20 0.42
▸ TRPA1 O75762 2/20 0.42
▸ TRPV3 Q8NET8 1/20 0.42
▸ TRPV4 Q9HBA0 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ BCL2L1 Q07817 1/20 0.40
▸ SCD O00767 1/20 0.40
▸ SIRT5 Q9NXA8 1/20 0.40
▸ CSNK2A2 P19784 1/20 0.40
▸ CSNK2B P67870 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ CSNK2A3 Q8NEV1 1/20 0.40
▸ KCNQ1 P51787 1/20 0.39
▸ P2RX1 P51575 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 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
SCHEMBL17655466 0.95 RORC (0.44) RORCCFTRTRPA1TRPV3TRPV4
SCHEMBL12653804 0.89 MAPT (0.47) FGFR4CFTRNPC1RAB9ANPSR1
SCHEMBL12653816 0.87 GCK (0.48) FGFR4CFTRTRPA1NPC1RAB9A
SCHEMBL12654516 0.86 P2RX1 (0.48) FGFR4P2RX1MEN1ALDH1A1KMT2A
SCHEMBL12959042 0.86 CSNK2A2 (0.41) FGFR4RORCCFTRTRPA1TRPV3
SCHEMBL12654537 0.85 RORC (0.41) RORCCFTRTRPA1TRPV3TRPV4
SCHEMBL12959004 0.85 TRPA1 (0.44) RORCCFTRTRPA1TRPV3TRPV4
SCHEMBL17655327 0.84 PHGDH (0.49) FGFR4P2RX1
SCHEMBL12654414 0.84 TRPA1 (0.43) RORCCFTRTRPA1TRPV3TRPV4
SCHEMBL12654660 0.83 FGFR4 (0.46) FGFR4RAB9A

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 1940/4885RORC 1020/4885CFTR 3263/4885

“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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