SCHEMBL14897033

SCHEMBL14897033

Cc1nc2c(C)cc(-c3ccccc3OC(F)(F)F)nn2c1C(=O)Nc1ccncc1F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ATR Q13535 1/20 0.39
▸ NTRK1 P04629 1/20 0.37
▸ SCN10A Q9Y5Y9 3/20 0.37
▸ SCN9A Q15858 4/20 0.36
▸ CSNK2A2 P19784 1/20 0.36
▸ CSNK2B P67870 1/20 0.36
▸ GPBAR1 Q8TDU6 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ FLT1 P17948 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ RIPK1 Q13546 1/20 0.35
▸ SCN5A Q14524 1/20 0.35
▸ SCN2A Q99250 1/20 0.35
▸ SCN3A Q9NY46 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KIT P10721 1/20 0.35
▸ HSD17B13 Q7Z5P4 1/20 0.35
▸ NAMPT P43490 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
SCHEMBL14897241 0.88 NR3C1 (0.38) NTRK1SCN9ASCN5AMAPT
SCHEMBL18654684 0.88 SCN10A (0.34) ATRNTRK1SCN10ASCN9APOLB
SCHEMBL16193149 0.87 RIPK1 (0.40) ATRNTRK1SCN10ARIPK1NAMPT
SCHEMBL14897598 0.84 MPL (0.42) ATRSCN10ASCN9APOLBABL1
SCHEMBL14896856 0.83 SCN10A (0.43) NTRK1SCN10ASCN9AABL1RIPK1
SCHEMBL14897240 0.81 SCN10A (0.41) SCN10ASCN9APOLBABL1RIPK1
SCHEMBL14897344 0.81 KIT (0.39) NTRK1SCN10ASCN9APOLBABL1
SCHEMBL14896848 0.81 SCN10A (0.40) SCN10ASCN9APOLBABL1RIPK1
SCHEMBL14897243 0.81 NPC1 (0.45) SCN10ASCN9ASCN5ASCN2ASCN3A
SCHEMBL18655235 0.81 ABL1 (0.37) NTRK1SCN10ASCN9APOLBABL1

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 ATR 1049/4885NTRK1 4082/4885SCN10A 3392/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ATR 1049/4885NTRK1 4082/4885SCN10A 3392/4885

“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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