SCHEMBL14897003

SCHEMBL14897003

O=C(Nc1cccnc1)c1cnc2ccc(N3CCC[C@@H]3C(F)(F)F)nn12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ NTRK1 P04629 11/20 0.41
▸ IRAK4 Q9NWZ3 3/20 0.41
▸ SCN10A Q9Y5Y9 2/20 0.40
▸ CRACR2A Q9BSW2 1/20 0.39
▸ NAMPT P43490 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ JAK2 O60674 1/20 0.38
▸ INSR P06213 1/20 0.38
▸ LYN P07948 1/20 0.38
▸ RET P07949 1/20 0.38
▸ MET P08581 1/20 0.38
▸ ROS1 P08922 1/20 0.38
▸ FGR P09769 1/20 0.38
▸ KIT P10721 1/20 0.38
▸ FGFR4 P22455 1/20 0.38
▸ FGFR3 P22607 1/20 0.38
▸ TIE1 P35590 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
SCHEMBL14881516 1.00 LMNA (0.43) LMNAHSD17B10NTRK1IRAK4SCN10A
SCHEMBL20355597 0.97 LMNA (0.42) LMNAHSD17B10NTRK1IRAK4SCN10A
SCHEMBL14897267 0.87 NTRK1 (0.46) NTRK1
SCHEMBL14897331 0.86 NAMPT (0.43) LMNAHSD17B10NTRK1IRAK4NAMPT
SCHEMBL14896812 0.85 NTRK1 (0.41) NTRK1IRAK4JAK2INSRLYN
SCHEMBL14897739 0.85 NTRK1 (0.46) NTRK1IRAK4JAK2INSRLYN
SCHEMBL14896942 0.84 IRAK4 (0.49) LMNAHSD17B10NTRK1IRAK4SCN10A
SCHEMBL14881970 0.84 NTRK1 (0.43) NTRK1IRAK4
SCHEMBL14897395 0.83 LMNA (0.43) LMNAHSD17B10NTRK1SCN10ACRACR2A
SCHEMBL14897480 0.82 IRAK4 (0.45) LMNAHSD17B10NTRK1IRAK4SCN10A

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 LMNA 3264/4885HSD17B10 1258/4885NTRK1 4082/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 LMNA 3264/4885HSD17B10 1258/4885NTRK1 4082/4885

“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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