SCHEMBL14897744

SCHEMBL14897744

O=C(Nc1ccncc1F)c1cnc2ccc(N3CCCC(C(F)(F)F)C3)nn12

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 7/20 0.52
▸ NTRK1 P04629 6/20 0.40
▸ EIF2AK4 Q9P2K8 1/20 0.39
▸ SCN10A Q9Y5Y9 1/20 0.38
▸ PIM1 P11309 3/20 0.38
▸ TRPV3 Q8NET8 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
SCHEMBL18654583 0.91 IRAK4 (0.53) IRAK4NTRK1EIF2AK4SCN10APIM1
SCHEMBL20355596 0.90 IRAK4 (0.53) IRAK4NTRK1PIM1
SCHEMBL16193117 0.88 IRAK4 (0.53) IRAK4NTRK1PIM1
SCHEMBL14897370 0.86 IRAK4 (0.52) IRAK4NTRK1PIM1
SCHEMBL14896942 0.85 IRAK4 (0.49) IRAK4NTRK1EIF2AK4SCN10APIM1
SCHEMBL14897225 0.83 IRAK4 (0.48) IRAK4NTRK1SCN10APIM1
SCHEMBL14897701 0.83 IRAK4 (0.49) IRAK4NTRK1
SCHEMBL14896727 0.82 IRAK4 (0.49) IRAK4NTRK1EIF2AK4SCN10APIM1
SCHEMBL14897279 0.82 IRAK4 (0.49) IRAK4NTRK1
SCHEMBL14897383 0.82 IRAK4 (0.49) IRAK4NTRK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 3168/4885NTRK1 4082/4885EIF2AK4 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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