SCHEMBL963213

SCHEMBL963213

COc1cc(NC(=NC(=O)C(CCCCCl)c2ccc(F)cc2)SC)ccc1-c1cnnc(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.37
PSEN1 P49768 5/20 0.37
PSEN2 P49810 5/20 0.37
APH1B Q8WW43 5/20 0.37
NCSTN Q92542 5/20 0.37
APH1A Q96BI3 5/20 0.37
PSENEN Q9NZ42 5/20 0.37
EIF2S1 P05198 1/20 0.36
EIF2AK3 Q9NZJ5 1/20 0.36
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
GRIN1 Q05586 3/20 0.34
GRIN2B Q13224 3/20 0.34
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HDAC3 O15379 1/20 0.32
CDK2 P24941 1/20 0.32
CDK9 P50750 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL963212 0.85 F11 (0.36) AAK1IMPDH2
SCHEMBL2487527 0.84 AAK1 (0.38) AAK1PSEN1PSEN2APH1BNCSTN
SCHEMBL961340 0.83 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL960585 0.76 PSEN1 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2487524 0.75 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL961349 0.74 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2514488 0.73 PSEN1 (0.39) AAK1PSEN1PSEN2APH1BNCSTN
SCHEMBL965140 0.71 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL964887 0.70 AAK1 (0.41) AAK1PSEN1PSEN2APH1BNCSTN
SCHEMBL961342 0.69 SLC6A3 (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 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.