SCHEMBL14897382

SCHEMBL14897382

CN(C)[C@H]1CCN(c2ccc3ncc(C(=O)Nc4cccnc4)n3n2)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 4/20 0.47
▸ IRAK4 Q9NWZ3 3/20 0.45
▸ MCHR1 Q99705 4/20 0.45
▸ NTRK1 P04629 4/20 0.43
▸ NTRK3 Q16288 4/20 0.43
▸ NTRK2 Q16620 4/20 0.43
▸ NAMPT P43490 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ RET P07949 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39

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
SCHEMBL14897264 0.88 IRAK4 (0.47) AAK1IRAK4NTRK1NTRK3NTRK2
SCHEMBL14897035 0.88 AAK1 (0.49) AAK1IRAK4MCHR1NTRK1NTRK3
SCHEMBL14897490 0.87 IRAK4 (0.45) AAK1IRAK4NTRK1NTRK3NTRK2
SCHEMBL16193116 0.87 IRAK4 (0.49) AAK1IRAK4NTRK1NTRK3NTRK2
SCHEMBL14897173 0.86 IRAK4 (0.46) AAK1IRAK4MCHR1NTRK1NTRK3
SCHEMBL14897317 0.86 IRAK4 (0.45) AAK1IRAK4NTRK1NTRK3NTRK2
SCHEMBL14896770 0.85 AAK1 (0.45) AAK1IRAK4MCHR1NTRK1NTRK3
SCHEMBL14897378 0.85 AAK1 (0.47) AAK1IRAK4MCHR1NTRK1NTRK3
SCHEMBL14897383 0.84 IRAK4 (0.49) AAK1IRAK4MCHR1NTRK1NTRK3
SCHEMBL14897272 0.84 MCHR1 (0.42) AAK1MCHR1NTRK1NTRK3NTRK2

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 AAK1 2011/4885IRAK4 3168/4885MCHR1 3729/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 AAK1 2011/4885IRAK4 3168/4885MCHR1 3729/4885

“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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