SCHEMBL1817665

SCHEMBL1817665

CN1CCN(C(=O)Nc2nccs2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SPR P35270 1/20 0.42
▸ EGFR P00533 3/20 0.42
▸ KDR P35968 2/20 0.42
▸ FGFR1 P11362 1/20 0.41
▸ SCN9A Q15858 4/20 0.40
▸ KMO O15229 1/20 0.40
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ FYN P06241 1/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ PIK3C2A O00443 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ INCENP Q9NQS7 1/20 0.38
▸ TRPA1 O75762 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ HTR2A P28223 1/20 0.38

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
SCHEMBL17655481 0.88 KMO (0.43) KMOCA2CA9FYNPIK3CD
SCHEMBL1815198 0.87 EGFR (0.41) SPREGFRKDRFGFR1SCN9A
SCHEMBL12959004 0.86 TRPA1 (0.44) TRPA1TRPV3TRPV4
SCHEMBL12654504 0.86 FYN (0.39) KMOCA2CA9FYNPIK3CD
SCHEMBL17655381 0.85 SMN1; SMN2 (0.39) KMOCA2CA9FYNTRPA1
SCHEMBL12654500 0.84 CA2 (0.44) EGFRKDRFGFR1KMOCA2
Trifluoroacetic Acid SCHEMBL12806420 0.84 EGFR (0.39) SPREGFRKDRFGFR1SCN9A
SCHEMBL17655480 0.83 ALOX15 (0.47) KDRFGFR1SCN9AKMOCA2
SCHEMBL12654440 0.83 KMO (0.42) SCN9AKMOCA2CA9FYN
SCHEMBL12654396 0.83 MPL (0.45) KDRSCN9AKMOCA2CA9

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 SPR 706/4885EGFR 4255/4885KDR 1537/4885

“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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