SCHEMBL17068043

SCHEMBL17068043

COc1cnc(C=O)c(C)n1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.44
NNMT P40261 3/20 0.36
SIRT6 Q8N6T7 1/20 0.34
ERN1 O75460 3/20 0.32
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL6057013 0.81 POLB (0.37) KCNJ1NNMTSIRT6ERN1
SCHEMBL29955754 0.81 POLB (0.37) KCNJ1NNMTSIRT6ERN1
SCHEMBL29953478 0.79 SIRT6 (0.33) KCNJ1SIRT6ERN1
SCHEMBL30852204 0.79 SIRT6 (0.37) KCNJ1NNMTSIRT6ERN1
SCHEMBL6056942 0.79 SIRT6 (0.33) KCNJ1SIRT6ERN1
SCHEMBL22090180 0.76 KCNJ1 (0.46) KCNJ1KDM4E
SCHEMBL23028344 0.75 KCNJ1 (0.49) KCNJ1KDM4E
SCHEMBL29956450 0.75 KCNJ1 (0.49) KCNJ1KDM4E
SCHEMBL31214278 0.75 NPSR1 (0.44) NNMTSIRT6KDM4E
SCHEMBL17431082 0.74 NNMT (0.38) NNMTSIRT6KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150252059-A1 BRIDGED BICYCLIC AMINO THIAZINE DIOXIDE COMPOUNDS AS INHIBITORS OF BETA-SECRETASE AND METHODS OF USE THEREOF AMGEN INC (US) 2015-09-10 US disclosed
US-20150252059-A1 BRIDGED BICYCLIC AMINO THIAZINE DIOXIDE COMPOUNDS AS INHIBITORS OF BETA-SECRETASE AND METHODS OF USE THEREOF AMGEN INC (US) 2015-09-10 US 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 (1 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-20150252059-A1 BRIDGED BICYCLIC AMINO THIAZINE DIOXIDE COMPOUNDS AS INHIBITORS OF BETA-SECRETASE AND METHODS OF USE THEREOF BACE1, BACE2, APP KCNJ1 3135/4885NNMT 610/4885SIRT6 2200/4885

“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.