SCHEMBL14897264

SCHEMBL14897264

CC1CCN(c2ccc3ncc(C(=O)Nc4cccnc4)n3n2)C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 3/20 0.47
▸ MAPT P10636 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ NAMPT P43490 6/20 0.43
▸ NTRK1 P04629 3/20 0.42
▸ NTRK3 Q16288 3/20 0.42
▸ NTRK2 Q16620 3/20 0.42
▸ AAK1 Q2M2I8 2/20 0.40
▸ LMNA P02545 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL16193116 0.90 IRAK4 (0.49) IRAK4SMN1; SMN2ALDH1A1NAMPTNTRK1
SCHEMBL14897490 0.90 IRAK4 (0.45) IRAK4SMN1; SMN2ALDH1A1NAMPTNTRK1
SCHEMBL14897317 0.88 IRAK4 (0.45) IRAK4SMN1; SMN2RAB9AALDH1A1NAMPT
SCHEMBL14897382 0.88 AAK1 (0.47) IRAK4SMN1; SMN2ALDH1A1NAMPTNTRK1
SCHEMBL14897480 0.86 IRAK4 (0.45) IRAK4MAPTSMN1; SMN2ALDH1A1NAMPT
SCHEMBL14897660 0.86 MAP3K7 (0.46) IRAK4MAPTSMN1; SMN2ALDH1A1NAMPT
SCHEMBL14897155 0.86 NAMPT (0.46) IRAK4SMN1; SMN2ALDH1A1NAMPTLMNA
SCHEMBL14897324 0.85 IRAK4 (0.51) IRAK4MAPTSMN1; SMN2ALDH1A1NAMPT
SCHEMBL14897741 0.85 IRAK4 (0.47) IRAK4NTRK1NTRK3NTRK2
SCHEMBL14897368 0.85 IRAK4 (0.46) IRAK4MAPTSMN1; SMN2NPC1RAB9A

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 IRAK4 3168/4885MAPT 2406/4885SMN1; SMN2 2001/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 IRAK4 3168/4885MAPT 2406/4885SMN1; SMN2 2001/4885

“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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