SCHEMBL12654397

SCHEMBL12654397

CN1CCN(C(=O)Nc2cccnn2)c2nc(-c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 7/20 0.41
▸ HTR2A P28223 2/20 0.40
▸ HTR2C P28335 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ GABRA1 P14867 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ HTR2B P41595 1/20 0.40
▸ TMEM97 Q5BJF2 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ KMO O15229 1/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ ADORA2A P29274 1/20 0.37
▸ GAA P10253 2/20 0.36

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 0.87 KMO (0.43) HTR2AHTR2CCNR1CNR2KMO
SCHEMBL12958986 0.86 SCN9A (0.39) FAAHHTR2AHTR2CCYP3A4CYP2D6
SCHEMBL12654396 0.85 MPL (0.45) FAAHHTR2AHTR2CKMOCA2
SCHEMBL17655480 0.85 ALOX15 (0.47) FAAHHTR2AHTR2CCYP3A4CYP2D6
SCHEMBL19365508 0.85 FGFR4 (0.42) HTR2AHTR2CCNR2KMOCA2
SCHEMBL12959008 0.85 PHGDH (0.49) KMOKMT2AADORA2AMEN1
SCHEMBL12654500 0.85 CA2 (0.44) HTR2AHTR2CHTR2BKMOCA2
SCHEMBL12654499 0.83 MEN1 (0.42) HTR2AHTR2CCNR1CNR2KMO
SCHEMBL12654443 0.83 CNR2 (0.48) CNR2GAA
SCHEMBL12959003 0.82 HTR2C (0.44) HTR2AHTR2CCNR1CNR2HTR2B

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 FAAH 1598/4885HTR2A 2566/4885HTR2C 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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