SCHEMBL961096

SCHEMBL961096

COc1cc(NC(N)=S)ccc1-c1cnn(C)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.64
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47
EP300 Q09472 1/20 0.47
KDM4E B2RXH2 2/20 0.45
USP30 Q70CQ3 3/20 0.44
MALT1 Q9UDY8 1/20 0.44
MAPT P10636 3/20 0.43
PLAU P00749 2/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TTK P33981 1/20 0.40
ABL1 P00519 1/20 0.40
PLAT P00750 1/20 0.40

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
SCHEMBL961604 0.77 AAK1 (0.46) AAK1PSEN1PSEN2APH1BNCSTN
SCHEMBL512461 0.76 AAK1 (0.52) AAK1PSEN1PSEN2APH1BNCSTN
SCHEMBL29877325 0.76 AAK1 (0.52) AAK1PSEN1PSEN2APH1BNCSTN
SCHEMBL23019558 0.75 RORC (0.61) AAK1EP300ALDH1A1
SCHEMBL19998607 0.74 AAK1 (0.50) AAK1PSEN1PSEN2APH1BNCSTN
SCHEMBL1887021 0.73 MAPT (0.67) KDM4EMAPTKMT2AGAAALDH1A1
SCHEMBL18116008 0.73 USP30 (0.59) AAK1USP30MAPTPLAUKMT2A
SCHEMBL152912 0.73 USP30 (0.61) AAK1USP30PLAUTTKABL1
SCHEMBL8004211 0.73 AAK1 (0.49) AAK1PSEN1PSEN2APH1BNCSTN
SCHEMBL156288 0.72 USP30 (0.60) AAK1USP30PLAUTTK

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 AAK1 837/4885PSEN1 6/4885PSEN2 7/4885

“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.