SCHEMBL14897815

SCHEMBL14897815

Cc1nc2ccc(N3CCCC3C(F)(F)F)nn2c1C(=O)Nc1cccnn1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AADAT Q8N5Z0 3/20 0.34
▸ GLS O94925 3/20 0.34
▸ NTRK1 P04629 8/20 0.33
▸ PIK3C3 Q8NEB9 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ BTK Q06187 2/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.32

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
SCHEMBL14897150 1.00 AADAT (0.34) AADATGLSNTRK1PIK3C3NPC1
SCHEMBL14897796 0.89 GRM5 (0.39) NTRK1PIK3C3JAK2
SCHEMBL14897395 0.85 LMNA (0.43) NTRK1NPC1TP53RAB9AJAK2
SCHEMBL14897091 0.84 GLS (0.41) GLSNTRK1NPC1TP53RAB9A
SCHEMBL14896812 0.83 NTRK1 (0.41) NTRK1JAK2
SCHEMBL18655168 0.81 AADAT (0.32) AADATNTRK1PDE10A
SCHEMBL18654654 0.81 SMN1; SMN2 (0.41) NPC1TP53RAB9A
SCHEMBL14897385 0.81 GLS (0.39) GLSNTRK1NPC1TP53RAB9A
SCHEMBL14897147 0.79 NTRK1 (0.39) NTRK1JAK2
SCHEMBL18654697 0.78 NTRK1 (0.33) AADATNTRK1PIK3C3PDE10A

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 AADAT 788/4885GLS 55/4885NTRK1 4082/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 AADAT 788/4885GLS 55/4885NTRK1 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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