SCHEMBL963396

SCHEMBL963396

COc1cc(NC(N)=S)cnc1-n1cnc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.37
MAPKAPK2 P49137 1/20 0.37
F11 P03951 2/20 0.36
KLKB1 P03952 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.35
PSEN1 P49768 3/20 0.35
PSEN2 P49810 3/20 0.35
APH1B Q8WW43 3/20 0.35
NCSTN Q92542 3/20 0.35
APH1A Q96BI3 3/20 0.35
PSENEN Q9NZ42 3/20 0.35
GAA P10253 3/20 0.35
KCNH2 Q12809 1/20 0.35
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
RAB9A P51151 2/20 0.33
QPCT Q16769 1/20 0.33
SMN1; SMN2 Q16637 1/20 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
SCHEMBL962129 0.81 MALT1 (0.36) MALT1F11KLKB1MAPTPSEN1
SCHEMBL961599 0.81 PSEN1 (0.46) MAPKAPK2F11KLKB1ALDH1A1MAPT
SCHEMBL961139 0.79 ALDH1A1 (0.34) MAPKAPK2F11KLKB1ALDH1A1MAPT
SCHEMBL29878629 0.77 SUV39H2 (0.33) ALDH1A1MAPTPSEN1PSEN2APH1B
SCHEMBL513511 0.77 SUV39H2 (0.33) ALDH1A1MAPTPSEN1PSEN2APH1B
SCHEMBL21195187 0.74 MEN1 (0.33) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL27860103 0.74 F11 (0.33) MALT1F11KLKB1MAPTKMT2A
SCHEMBL12918173 0.72 NOS3 (0.36)
SCHEMBL960327 0.72 NOS3 (0.36)
SCHEMBL964069 0.71 EGFR (0.31)

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 6 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
CN-102356081-A Bicyclic compounds for the reduction of beta-amyloid production BRISTOL MYERS SQUIBB CO 2012-02-15 CN 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 MALT1 4292/4885MAPKAPK2 1695/4885F11 2961/4885

“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.