SCHEMBL966728

SCHEMBL966728

COc1cc(NC(N)=S)cc(F)c1-n1cnc(C)n1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.35
MAPK10 P53779 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
QPCT Q16769 10/20 0.34
PSEN1 P49768 6/20 0.33
PSEN2 P49810 6/20 0.33
APH1B Q8WW43 6/20 0.33
NCSTN Q92542 6/20 0.33
APH1A Q96BI3 6/20 0.33
PSENEN Q9NZ42 6/20 0.33

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
SCHEMBL962539 0.89 CYP1A2 (0.36) ALDH1A1GAAMAPT
SCHEMBL961808 0.82 PSEN1 (0.34) JUNMAPK10PSEN1PSEN2APH1B
SCHEMBL960711 0.79 PSEN1 (0.44) ALDH1A1GAAMAPTQPCTPSEN1
SCHEMBL963443 0.77 KIT (0.35) JUNMAPK10ALDH1A1GAAMAPT
SCHEMBL961727 0.77 PSEN1 (0.37) JUNMAPK10PSEN1PSEN2APH1B
SCHEMBL961139 0.76 ALDH1A1 (0.34) ALDH1A1GAAMAPTQPCTPSEN1
SCHEMBL966637 0.76 KDM4E (0.41) ALDH1A1GAAMAPTPSEN1PSEN2
SCHEMBL12918204 0.73 HTR3E (0.33) JUNMAPK10
Iodide SCHEMBL963646 0.72 NOS3 (0.32) JUNMAPK10
SCHEMBL25347050 0.70 MAPT (0.39) ALDH1A1GAAMAPT

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 5 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
EP-2379553-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2011-10-26 EP disclosed
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 US disclosed
WO-2010083141-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-22 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 (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 JUN 2664/4885MAPK10 2811/4885ALDH1A1 1819/4885

“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.