SCHEMBL14897813

SCHEMBL14897813

Cc1nc2ccc(N3CCC(F)(F)C3)nn2c1C(=O)Nc1cccnn1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KIF18A Q8NI77 10/20 0.38
▸ CACNA1H O95180 4/20 0.36
▸ GBA1 P04062 1/20 0.36
▸ CLK2 P49760 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ RET P07949 1/20 0.34
▸ PTGER4 P35408 1/20 0.34

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
SCHEMBL14897426 0.95 KIF18A (0.38) KIF18ACACNA1HNPC1TP53RAB9A
SCHEMBL18654654 0.85 SMN1; SMN2 (0.41) NPC1TP53RAB9A
SCHEMBL14881761 0.84 CLK2 (0.46) KIF18ACLK2DYRK1ANPC1TP53
SCHEMBL14897385 0.83 GLS (0.39) NPC1TP53RAB9A
SCHEMBL16193131 0.82 IRAK4 (0.42) KIF18ACACNA1HCLK2DYRK1A
SCHEMBL14897091 0.81 GLS (0.41) CLK2NPC1TP53RAB9A
SCHEMBL18655071 0.80 GBA1 (0.33) KIF18ACACNA1HGBA1
SCHEMBL14896660 0.80 GBA1 (0.41) KIF18ACACNA1HGBA1NPC1TP53
SCHEMBL14896905 0.79 AAK1 (0.38) —
SCHEMBL14896944 0.78 SCN10A (0.43) KIF18ACACNA1HGBA1CLK2DYRK1A

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 KIF18A 2629/4885CACNA1H 3786/4885GBA1 2616/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KIF18A 2629/4885CACNA1H 3786/4885GBA1 2616/4885

“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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