SCHEMBL14897751

SCHEMBL14897751

Cc1nn2ccc(N3CCC[C@H]3C(F)(F)F)nc2c1C(=O)Nc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 16/20 0.50
▸ JAK2 O60674 9/20 0.50
▸ TRPA1 O75762 2/20 0.40
▸ PIK3CA P42336 1/20 0.40

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
SCHEMBL14897497 1.00 NTRK1 (0.50) NTRK1JAK2TRPA1PIK3CA
SCHEMBL14897748 0.90 NTRK1 (0.40) NTRK1JAK2
SCHEMBL14897839 0.90 NTRK1 (0.40) NTRK1JAK2
SCHEMBL14897856 0.90 NTRK1 (0.42) NTRK1JAK2
SCHEMBL14897538 0.90 NTRK1 (0.40) NTRK1JAK2
SCHEMBL14897312 0.90 NTRK1 (0.42) NTRK1JAK2
SCHEMBL16193122 0.90 NTRK1 (0.40) NTRK1JAK2
SCHEMBL14897918 0.86 NTRK1 (0.40) NTRK1JAK2
SCHEMBL14896945 0.86 NTRK1 (0.40) NTRK1JAK2
SCHEMBL14897837 0.85 NTRK1 (0.49) NTRK1JAK2

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 NTRK1 4082/4885JAK2 955/4885TRPA1 4386/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 NTRK1 4082/4885JAK2 955/4885TRPA1 4386/4885

“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.

Send feedback