SCHEMBL14896757

SCHEMBL14896757

Cc1nc2ccc(-c3ccccc3OC(F)(F)F)nn2c1C(=O)Nc1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.45
▸ CLK2 P49760 1/20 0.42
▸ DYRK1A Q13627 1/20 0.42
▸ HASPIN Q8TF76 1/20 0.42
▸ RIPK1 Q13546 7/20 0.40
▸ FYN P06241 1/20 0.40
▸ FLT1 P17948 4/20 0.38
▸ KDR P35968 4/20 0.38
▸ SCN10A Q9Y5Y9 2/20 0.38
▸ SCN5A Q14524 1/20 0.38
▸ SCN9A Q15858 1/20 0.38
▸ SCN2A Q99250 1/20 0.38
▸ SCN3A Q9NY46 1/20 0.38
▸ KIT P10721 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
SCHEMBL16193151 0.88 MPL (0.42) NAMPTCLK2DYRK1AHASPINRIPK1
SCHEMBL16193149 0.87 RIPK1 (0.40) NAMPTCLK2DYRK1AHASPINRIPK1
SCHEMBL16193152 0.86 RIPK1 (0.42) DYRK1ARIPK1FYNSCN10ASCN5A
SCHEMBL14897090 0.86 RIPK1 (0.42) RIPK1SCN10ASCN5ASCN9ASCN2A
SCHEMBL14896760 0.86 TYK2 (0.43) FLT1KDR
SCHEMBL16193146 0.85 SCN10A (0.40) NAMPTRIPK1SCN10ASCN5ASCN9A
SCHEMBL14896824 0.84 SCN10A (0.43) NAMPTRIPK1SCN10ASCN5ASCN9A
SCHEMBL14897296 0.83 SCN10A (0.41) DYRK1ARIPK1FYNSCN10ASCN5A
SCHEMBL18654634 0.83 SCN10A (0.42) NAMPTRIPK1SCN10ASCN5ASCN9A
SCHEMBL14897347 0.83 RIPK1 (0.44) RIPK1SCN10ASCN5ASCN9ASCN2A

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 NAMPT 44/4885CLK2 821/4885DYRK1A 2222/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 NAMPT 44/4885CLK2 821/4885DYRK1A 2222/4885

“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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