SCHEMBL14897598

SCHEMBL14897598

Cc1nc2c(C)cc(-c3ccccc3OC(F)(F)F)nn2c1C(=O)Nc1ccncn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 3/20 0.42
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNB4 P30926 1/20 0.40
▸ CHRNA3 P32297 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ SCN10A Q9Y5Y9 4/20 0.39
▸ SCN9A Q15858 3/20 0.39
▸ SCN5A Q14524 1/20 0.39
▸ SCN2A Q99250 1/20 0.39
▸ SCN3A Q9NY46 1/20 0.39
▸ ABL1 P00519 1/20 0.38
▸ RIPK1 Q13546 2/20 0.35
▸ KIT P10721 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ TEK Q02763 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ ATR Q13535 1/20 0.35

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
SCHEMBL14897202 0.88 CHRNB2 (0.41) MPLCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL14896856 0.87 SCN10A (0.43) SCN10ASCN9ASCN5ASCN2ASCN3A
SCHEMBL16193151 0.87 MPL (0.42) MPLCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL14897240 0.85 SCN10A (0.41) SCN10ASCN9ASCN5ASCN2ASCN3A
SCHEMBL14896848 0.85 SCN10A (0.40) CHRNB2CHRNB4CHRNA3CHRNA4SCN10A
SCHEMBL14897243 0.85 NPC1 (0.45) SCN10ASCN9ASCN5ASCN2ASCN3A
SCHEMBL14897033 0.84 ATR (0.39) SCN10ASCN9ASCN5ASCN2ASCN3A
SCHEMBL14897344 0.84 KIT (0.39) SCN10ASCN9ASCN5ASCN2ASCN3A
SCHEMBL14897346 0.81 RAB9A (0.42) SCN10ASCN9ASCN5ASCN2ASCN3A
SCHEMBL16244005 0.81 SCN9A (0.41) SCN9AHCRTR1HCRTR2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 — — US disclosed
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 — — US disclosed
US-9957271-B2 Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2018-05-01 — — US disclosed
US-9957271-B2 Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2018-05-01 — — US disclosed
EP-2768509-B1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2017-03-22 — — EP disclosed
US-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2014-11-27 — — US disclosed
US-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2014-11-27 — — US disclosed
WO-2013059587-A9 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2014-10-23 — — WO disclosed
WO-2013059587-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2013-04-25 — — 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 (2 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-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MPL 1284/4885CHRNB2 3233/4885CHRNB4 3567/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MPL 1284/4885CHRNB2 3233/4885CHRNB4 3567/4885

“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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