SCHEMBL960058

SCHEMBL960058

Cc1ncn(-c2ccc(N=C=S)cc2C#N)n1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.37
GABRA1 P14867 2/20 0.32
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRA6 Q16445 1/20 0.31
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
SCHEMBL963346 0.80 PSEN1 (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18773501 0.79 ALOX5AP (0.39) ALOX5APKDM4E
SCHEMBL12918141 0.77 NOS3 (0.36) ALOX5AP
SCHEMBL964746 0.77 KDM4E (0.49) ALOX5APKDM4E
Iodide SCHEMBL2511944 0.76 NOS3 (0.37) ALOX5AP
SCHEMBL21030746 0.75 ALOX5AP (0.36) ALOX5APKDM4E
SCHEMBL14321145 0.74 ALOX5AP (0.36) ALOX5APKDM4E
SCHEMBL14321124 0.74 ALOX5AP (0.36) ALOX5APKDM4E
SCHEMBL4832417 0.73 KDM4E (0.50) ALOX5APKDM4E
SCHEMBL964010 0.72 KDM4E (0.39) ALOX5APKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379553-B1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2013-06-26 EP disclosed
US-8349880-B2 Bicyclic compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-08 US disclosed
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 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-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production APP, BACE1, APBA1 ALOX5AP 809/4885GABRA1 1094/4885GABRG2 1520/4885

“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.