SCHEMBL14897541

SCHEMBL14897541

O=C(Nc1cccnc1)c1cnc2ccc(-c3ccccc3C(F)(F)F)nn12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SGMS2 Q8NHU3 1/20 0.46
▸ NOTUM Q6P988 1/20 0.46
▸ ATR Q13535 1/20 0.45
▸ TRPV1 Q8NER1 1/20 0.44
▸ LMNA P02545 2/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ TGFBR1 P36897 7/20 0.43
▸ NAMPT P43490 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ FYN P06241 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ PTBP1 P26599 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KLF5 Q13887 1/20 0.41

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
SCHEMBL14897194 0.90 ATR (0.44) ATRHSD17B10TGFBR1FYN
SCHEMBL14896756 0.90 ATR (0.46) ATRTRPV1TGFBR1FYNALDH1A1
SCHEMBL14897613 0.87 TGFBR1 (0.47) ATRTGFBR1FYN
SCHEMBL14896949 0.87 LMNA (0.49) SGMS2NOTUMLMNATGFBR1NAMPT
SCHEMBL14897192 0.87 TGFBR1 (0.46) ATRTGFBR1
SCHEMBL14897539 0.87 TGFBR1 (0.42) ATRLMNATGFBR1FYNALDH1A1
SCHEMBL14897200 0.86 TSHR (0.43) ATRHSD17B10TGFBR1SMN1; SMN2
SCHEMBL14897512 0.86 TGFBR1 (0.43) ATRTGFBR1FYN
SCHEMBL14897564 0.85 SGMS2 (0.46) SGMS2NOTUMATRTRPV1LMNA
SCHEMBL14896690 0.85 CYP11B2 (0.51) SGMS2NOTUMTGFBR1NAMPTSMN1; SMN2

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 SGMS2 4042/4885NOTUM 3955/4885ATR 1049/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SGMS2 4042/4885NOTUM 3955/4885ATR 1049/4885

“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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