SCHEMBL14896942

SCHEMBL14896942

O=C(Nc1cccnc1)c1cnc2ccc(N3CCCC(C(F)(F)F)C3)nn12

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 4/20 0.49
▸ SCN10A Q9Y5Y9 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ NTRK1 P04629 3/20 0.41
▸ NTRK3 Q16288 3/20 0.41
▸ NTRK2 Q16620 2/20 0.41
▸ NAMPT P43490 1/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ EIF2AK4 Q9P2K8 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CRACR2A Q9BSW2 1/20 0.38
▸ ABL1 P00519 3/20 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
SCHEMBL14897480 0.95 IRAK4 (0.45) IRAK4SCN10ALMNAHSD17B10NTRK1
SCHEMBL14897324 0.90 IRAK4 (0.51) IRAK4LMNAHSD17B10NTRK1NTRK3
SCHEMBL16193116 0.87 IRAK4 (0.49) IRAK4LMNAHSD17B10NTRK1NTRK3
SCHEMBL14897225 0.87 IRAK4 (0.48) IRAK4SCN10ANTRK1NTRK3PIM1
SCHEMBL14897235 0.86 IRAK4 (0.49) IRAK4SCN10ANTRK1NTRK3NTRK2
SCHEMBL14896727 0.86 IRAK4 (0.49) IRAK4SCN10ANTRK1NTRK3NTRK2
SCHEMBL14897744 0.85 IRAK4 (0.52) IRAK4SCN10ANTRK1PIM1EIF2AK4
SCHEMBL14897368 0.85 IRAK4 (0.46) IRAK4LMNANAMPTALDH1A1MAPT
SCHEMBL18654583 0.85 IRAK4 (0.53) IRAK4SCN10ANTRK1NTRK3NTRK2
SCHEMBL14897003 0.84 LMNA (0.43) IRAK4SCN10ALMNAHSD17B10NTRK1

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 3168/4885SCN10A 3392/4885LMNA 3264/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 IRAK4 3168/4885SCN10A 3392/4885LMNA 3264/4885

“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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