SCHEMBL14896727

SCHEMBL14896727

O=C(Nc1cccnn1)c1cnc2ccc(N3CCCC(C(F)(F)F)C3)nn12

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 6/20 0.49
▸ PIM1 P11309 2/20 0.40
▸ EIF2AK4 Q9P2K8 1/20 0.39
▸ GLS O94925 2/20 0.39
▸ SCN10A Q9Y5Y9 1/20 0.39
▸ NTRK1 P04629 7/20 0.39
▸ NTRK3 Q16288 4/20 0.39
▸ NTRK2 Q16620 3/20 0.39
▸ MAP4K4 O95819 1/20 0.36

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
SCHEMBL14896861 0.91 IRAK4 (0.50) IRAK4PIM1GLSNTRK1NTRK3
SCHEMBL14897745 0.88 IRAK4 (0.49) IRAK4GLSNTRK1NTRK3NTRK2
SCHEMBL18655320 0.88 IRAK4 (0.49) IRAK4GLSNTRK1NTRK3NTRK2
SCHEMBL14896942 0.86 IRAK4 (0.49) IRAK4PIM1EIF2AK4SCN10ANTRK1
SCHEMBL14897256 0.86 IRAK4 (0.46) IRAK4
SCHEMBL14897701 0.85 IRAK4 (0.49) IRAK4NTRK1
SCHEMBL14896812 0.85 NTRK1 (0.41) IRAK4NTRK1NTRK3NTRK2
SCHEMBL14897494 0.85 IRAK4 (0.45) IRAK4GLSNTRK1NTRK3NTRK2
SCHEMBL14897765 0.84 IRAK4 (0.46) IRAK4GLSNTRK1NTRK3NTRK2
SCHEMBL20355596 0.83 IRAK4 (0.53) IRAK4PIM1NTRK1NTRK3NTRK2

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 3168/4885PIM1 4551/4885EIF2AK4 2426/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 IRAK4 3168/4885PIM1 4551/4885EIF2AK4 2426/4885

“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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