SCHEMBL14897276

SCHEMBL14897276

O=C(Nc1ncccn1)c1cnc2ccc(N3CC[C@H](F)C3)nn12

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 4/20 0.53
▸ NTRK1 P04629 9/20 0.44
▸ NTRK3 Q16288 7/20 0.44
▸ NTRK2 Q16620 7/20 0.44
▸ RET P07949 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ AAK1 Q2M2I8 4/20 0.40
▸ TGFBR1 P36897 1/20 0.38
▸ PIM1 P11309 1/20 0.37
▸ ROCK2 O75116 1/20 0.37

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
SCHEMBL14897819 0.90 IRAK4 (0.50) IRAK4NTRK1NTRK3NTRK2RET
SCHEMBL16193116 0.87 IRAK4 (0.49) IRAK4NTRK1NTRK3NTRK2AAK1
SCHEMBL14897071 0.87 IRAK4 (0.50) IRAK4NTRK1NTRK3NTRK2RET
SCHEMBL18655320 0.86 IRAK4 (0.49) IRAK4NTRK1NTRK3NTRK2RET
SCHEMBL14897745 0.86 IRAK4 (0.49) IRAK4NTRK1NTRK3NTRK2RET
SCHEMBL14897035 0.86 AAK1 (0.49) IRAK4NTRK1NTRK3NTRK2RET
SCHEMBL14897396 0.86 IRAK4 (0.50) IRAK4NTRK1NTRK3NTRK2
SCHEMBL18654767 0.85 IRAK4 (0.51) IRAK4NTRK1NTRK3NTRK2RET
SCHEMBL14896964 0.85 IRAK4 (0.51) IRAK4NTRK1NTRK3NTRK2RET
SCHEMBL14897321 0.85 IRAK4 (0.51) IRAK4NTRK1NTRK3NTRK2RET

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 3168/4885NTRK1 4082/4885NTRK3 3339/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 IRAK4 3168/4885NTRK1 4082/4885NTRK3 3339/4885

“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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