SCHEMBL136503

SCHEMBL136503

COc1cc(Nc2nc3n(n2)CCCCC3c2ccc(F)cc2)ccc1-c1cc(C)no1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 20/20 0.76
PSEN2 P49810 20/20 0.76
APH1B Q8WW43 20/20 0.76
NCSTN Q92542 20/20 0.76
APH1A Q96BI3 20/20 0.76
PSENEN Q9NZ42 20/20 0.76
APP P05067 6/20 0.45
CYP3A4 P08684 2/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
UGT1A1 P22309 1/20 0.38
CYP2C19 P33261 1/20 0.38
KCNH2 Q12809 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38

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
SCHEMBL964276 0.89 PSEN1 (0.95) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL963472 0.85 PSEN1 (0.95) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2227350 0.82 PSEN1 (0.79) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL966944 0.78 PSEN1 (0.95) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2258209 0.77 PSEN1 (0.95) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2257849 0.77 PSEN1 (0.95) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12361014 0.77 PSEN1 (0.95) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL960825 0.76 PSEN1 (0.80) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL960827 0.76 PSEN1 (0.80) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL964293 0.76 PSEN1 (0.80) PSEN1PSEN2APH1BNCSTNAPH1A

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 24 patents — showing the first 20. 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 claimed
US-8349880-B2 Bicyclic compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-08 US claimed
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 US claimed
US-8901309-B2 Fused triazoles for the treatment or prophylaxis of mild cognitive impairment TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-02 US disclosed
US-8901309-B2 Fused triazoles for the treatment or prophylaxis of mild cognitive impairment TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-02 US disclosed
US-20140350260-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-11-27 US disclosed
US-20140350260-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-11-27 US disclosed
US-8822699-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-02 US disclosed
US-8822699-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-09-02 US disclosed
US-20130178497-A1 FUSED TRIAZOLES FOR THE TREATMENT OR PROPHYLAXIS OF MILD COGNITIVE IMPAIRMENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-11 US disclosed
US-20130178497-A1 FUSED TRIAZOLES FOR THE TREATMENT OR PROPHYLAXIS OF MILD COGNITIVE IMPAIRMENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-07-11 US disclosed
US-8349880-B2 Bicyclic compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-08 US disclosed
US-20120059030-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-08 US disclosed
US-20120059030-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-08 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
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 US 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
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 (4 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-20130178497-A1 FUSED TRIAZOLES FOR THE TREATMENT OR PROPHYLAXIS OF MILD COGNITIVE IMPAIRMENT BACE1, BACE2, APP PSEN1 4/4885PSEN2 5/4885APH1B 7/4885
US-20120059030-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BACE1, BACE2, APP PSEN1 5/4885PSEN2 8/4885APH1B 6/4885
US-20140350260-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BACE1, BACE2, APP PSEN1 5/4885PSEN2 8/4885APH1B 6/4885
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production APP, BACE1, APBA1 PSEN1 6/4885PSEN2 7/4885APH1B 13/4885

“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.