SCHEMBL16193085

SCHEMBL16193085

O=C(Nc1cccc(-c2cnco2)n1)c1cnc2ccc(N3CCCC3C(F)(F)F)nn12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 12/20 0.37
▸ NTRK2 Q16620 3/20 0.37
▸ NTRK3 Q16288 2/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ INSR P06213 1/20 0.37
▸ LYN P07948 1/20 0.37
▸ RET P07949 1/20 0.37
▸ MET P08581 1/20 0.37
▸ ROS1 P08922 1/20 0.37
▸ FGR P09769 1/20 0.37
▸ KIT P10721 1/20 0.37
▸ FGFR4 P22455 1/20 0.37
▸ FGFR3 P22607 1/20 0.37
▸ TIE1 P35590 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ FLT3 P36888 1/20 0.37
▸ ALK Q9UM73 1/20 0.37
▸ IRAK4 Q9NWZ3 3/20 0.37
▸ TRPA1 O75762 3/20 0.36
▸ RHOA P61586 1/20 0.35

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
SCHEMBL16193084 0.86 DYRK1A (0.41) NTRK1NTRK2JAK2INSRLYN
SCHEMBL14897739 0.81 NTRK1 (0.46) NTRK1NTRK2NTRK3JAK2INSR
SCHEMBL14897859 0.81 IRAK4 (0.41) NTRK1NTRK2NTRK3JAK2INSR
SCHEMBL14896812 0.80 NTRK1 (0.41) NTRK1NTRK2NTRK3JAK2INSR
SCHEMBL14881970 0.79 NTRK1 (0.43) NTRK1IRAK4
SCHEMBL14881516 0.77 LMNA (0.43) NTRK1NTRK2NTRK3JAK2INSR
SCHEMBL14897003 0.77 LMNA (0.43) NTRK1NTRK2NTRK3JAK2INSR
SCHEMBL14897852 0.77 NTRK1 (0.49) NTRK1JAK2IRAK4
SCHEMBL14897626 0.77 TRPA1 (0.39) NTRK1JAK2IRAK4TRPA1
SCHEMBL20355597 0.75 LMNA (0.42) NTRK1IRAK4

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 8 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

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 4082/4885NTRK2 1338/4885NTRK3 3339/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 NTRK1 4082/4885NTRK2 1338/4885NTRK3 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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