SCHEMBL14897346

SCHEMBL14897346

Cc1nc(NC(=O)c2c(C)nc3c(C)cc(-c4ccccc4OC(F)(F)F)nn23)sc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.42
▸ NPC1 O15118 7/20 0.42
▸ PKM P14618 2/20 0.42
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ MAPT P10636 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ SCN9A Q15858 3/20 0.39
▸ ATAD2 Q6PL18 1/20 0.39
▸ TP53 P04637 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MCOLN3 Q8TDD5 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CSNK2A2 P19784 1/20 0.37

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
SCHEMBL14896762 0.88 RAB9A (0.43) RAB9ANPC1PKMMEN1KMT2A
SCHEMBL14896848 0.83 SCN10A (0.40) PKMMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL14897243 0.83 NPC1 (0.45) RAB9ANPC1SCN9ATP53SCN10A
SCHEMBL16244005 0.82 SCN9A (0.41) MAPTSCN9ATP53CSNK2A2CSNK2B
SCHEMBL14897344 0.82 KIT (0.39) RAB9ANPC1MAPTSMN1; SMN2ABL1
SCHEMBL14897240 0.82 SCN10A (0.41) ABL1SCN9ASCN10ASCN5ASCN2A
SCHEMBL14896856 0.82 SCN10A (0.43) ABL1SCN9ASCN10ASCN5ASCN2A
SCHEMBL16243938 0.81 SCN9A (0.48) SCN9ASCN10A
SCHEMBL14897598 0.81 MPL (0.42) ABL1SCN9ASCN10ASCN5ASCN2A
SCHEMBL14897033 0.80 ATR (0.39) MAPTABL1SCN9ACSNK2A2CSNK2B

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 RAB9A 1062/4885NPC1 3941/4885PKM 2281/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RAB9A 1062/4885NPC1 3941/4885PKM 2281/4885

“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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