SCHEMBL16193149

SCHEMBL16193149

Cc1nc2ccc(-c3ccccc3OC(F)(F)F)nn2c1C(=O)Nc1ccncc1F

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 9/20 0.40
▸ NTRK1 P04629 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ DYRK1A Q13627 3/20 0.38
▸ ATR Q13535 1/20 0.38
▸ CLK2 P49760 1/20 0.38
▸ HASPIN Q8TF76 1/20 0.38
▸ FYN P06241 2/20 0.37
▸ SCN10A Q9Y5Y9 1/20 0.36

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
SCHEMBL14897033 0.87 ATR (0.39) RIPK1NTRK1NAMPTATRSCN10A
SCHEMBL16193076 0.87 PIM2 (0.40) NTRK1ATR
SCHEMBL14896757 0.87 NAMPT (0.45) RIPK1NAMPTDYRK1ACLK2HASPIN
SCHEMBL16193152 0.86 RIPK1 (0.42) RIPK1NTRK1DYRK1AFYNSCN10A
SCHEMBL16193151 0.84 MPL (0.42) RIPK1NAMPTDYRK1ACLK2HASPIN
SCHEMBL14897184 0.83 DYRK1A (0.43) NTRK1NAMPTDYRK1AATRFYN
SCHEMBL14897347 0.83 RIPK1 (0.44) RIPK1NTRK1SCN10A
SCHEMBL14897090 0.82 RIPK1 (0.42) RIPK1SCN10A
SCHEMBL16193146 0.81 SCN10A (0.40) RIPK1NTRK1NAMPTSCN10A
SCHEMBL14896824 0.81 SCN10A (0.43) RIPK1NTRK1NAMPTSCN10A

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 1084/4885NTRK1 4082/4885NAMPT 44/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RIPK1 1084/4885NTRK1 4082/4885NAMPT 44/4885

“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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