SCHEMBL16193152

SCHEMBL16193152

Cc1nc2ccc(-c3ccccc3OC(F)(F)F)nn2c1C(=O)Nc1cnccn1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 9/20 0.42
▸ SCN10A Q9Y5Y9 4/20 0.40
▸ SCN5A Q14524 1/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ SCN2A Q99250 1/20 0.40
▸ SCN3A Q9NY46 1/20 0.40
▸ NOTUM Q6P988 1/20 0.40
▸ DYRK1A Q13627 2/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ KDM4E B2RXH2 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
SCHEMBL14897090 0.91 RIPK1 (0.42) RIPK1SCN10ASCN5ASCN9ASCN2A
SCHEMBL16193151 0.89 MPL (0.42) RIPK1SCN10ASCN5ASCN9ASCN2A
SCHEMBL14897347 0.88 RIPK1 (0.44) RIPK1SCN10ASCN5ASCN9ASCN2A
SCHEMBL14896757 0.86 NAMPT (0.45) RIPK1SCN10ASCN5ASCN9ASCN2A
SCHEMBL14897129 0.86 CSNK1D (0.42) DYRK1A
SCHEMBL16193149 0.86 RIPK1 (0.40) RIPK1SCN10ADYRK1AFYNNTRK1
SCHEMBL14897296 0.86 SCN10A (0.41) RIPK1SCN10ASCN5ASCN9ASCN2A
SCHEMBL16193146 0.86 SCN10A (0.40) RIPK1SCN10ASCN5ASCN9ASCN2A
SCHEMBL14896824 0.86 SCN10A (0.43) RIPK1SCN10ASCN5ASCN9ASCN2A
SCHEMBL14897471 0.85 DYRK1A (0.43) SCN10ADYRK1AABL1FYNKDM4E

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 RIPK1 1084/4885SCN10A 3392/4885SCN5A 2731/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RIPK1 1084/4885SCN10A 3392/4885SCN5A 2731/4885

“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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