SCHEMBL14896949

SCHEMBL14896949

O=C(Nc1cccnc1)c1cnc2ccc(-c3ccccc3F)nn12

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.49
▸ TGFBR1 P36897 6/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ NAMPT P43490 3/20 0.46
▸ CYP11B1 P15538 3/20 0.45
▸ CYP11B2 P19099 3/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ FYN P06241 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ SGMS2 Q8NHU3 1/20 0.44
▸ NOTUM Q6P988 1/20 0.43

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
SCHEMBL14897206 0.90 LMNA (0.48) LMNATGFBR1ALDH1A1NAMPTCYP11B1
SCHEMBL14897041 0.89 HTT (0.47) TGFBR1ALDH1A1FYN
SCHEMBL14897066 0.88 LMNA (0.53) LMNAALDH1A1NAMPTCYP11B1CYP11B2
SCHEMBL16193073 0.88 MEN1 (0.46) LMNATGFBR1ALDH1A1NAMPTCYP11B1
SCHEMBL14896690 0.88 CYP11B2 (0.51) TGFBR1ALDH1A1NAMPTCYP11B1CYP11B2
SCHEMBL14897541 0.87 SGMS2 (0.46) LMNATGFBR1ALDH1A1NAMPTFYN
SCHEMBL14897351 0.86 SGMS2 (0.46) LMNATGFBR1ALDH1A1NAMPTCYP11B2
SCHEMBL18654707 0.86 NAMPT (0.45) TGFBR1ALDH1A1NAMPTFYNSMN1; SMN2
SCHEMBL14896985 0.85 TGFBR1 (0.45) TGFBR1KMT2ASMN1; SMN2
SCHEMBL14897107 0.85 SGMS2 (0.46) LMNATGFBR1ALDH1A1NAMPTCYP11B1

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 LMNA 3264/4885TGFBR1 4488/4885ALDH1A1 1480/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 LMNA 3264/4885TGFBR1 4488/4885ALDH1A1 1480/4885

“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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