SCHEMBL2227350

SCHEMBL2227350

COc1cc(Nc2nc3n(n2)CCCC3c2ccc(F)cc2)ccc1-c1ccnc(C)c1

nearest known ligand 0.79

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 20/20 0.79
PSEN2 P49810 20/20 0.79
APH1B Q8WW43 20/20 0.79
NCSTN Q92542 20/20 0.79
APH1A Q96BI3 20/20 0.79
PSENEN Q9NZ42 20/20 0.79
APP P05067 2/20 0.44
CYP3A4 P08684 3/20 0.40
KCNH2 Q12809 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2D6 P10635 1/20 0.40
UGT1A1 P22309 1/20 0.40
SLCO1B1 Q9Y6L6 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
SCHEMBL2226750 0.92 PSEN1 (0.68) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2227351 0.91 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2227290 0.91 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2228153 0.91 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2227138 0.90 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2227292 0.90 PSEN1 (0.65) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2228997 0.87 PSEN1 (0.61) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2227266 0.86 PSEN1 (0.60) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL963472 0.86 PSEN1 (0.95) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2284859 0.86 PSEN1 (0.67) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9145399-B2 Substituted bicyclic triazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-09-29 US disclosed
US-9145399-B2 Substituted bicyclic triazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-09-29 US disclosed
US-20120295901-A1 NOVEL SUBSTITUTED BICYCLIC TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-11-22 US disclosed
US-20120295901-A1 NOVEL SUBSTITUTED BICYCLIC TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-11-22 US disclosed
EP-2523955-A1 NOVEL SUBSTITUTED BICYCLIC TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS Janssen Pharmaceuticals Inc. (US) 2012-11-21 EP disclosed
WO-2011092272-A1 GAMMA SECRETASE MODULATERS F. HOFFMANN-LA ROCHE AG (CH) 2011-08-04 WO disclosed
WO-2011092272-A1 GAMMA SECRETASE MODULATERS F. HOFFMANN-LA ROCHE AG (CH) 2011-08-04 WO disclosed
US-20110190269-A1 GAMMA SECRETASE MODULATORS HOFFMANN-LA ROCHE, INC. 2011-08-04 US disclosed
US-20110190269-A1 GAMMA SECRETASE MODULATORS HOFFMANN-LA ROCHE, INC. 2011-08-04 US disclosed
US-20110190269-A1 GAMMA SECRETASE MODULATORS HOFFMANN-LA ROCHE, INC. 2011-08-04 US disclosed
WO-2011086098-A1 NOVEL SUBSTITUTED BICYCLIC TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2011-07-21 WO disclosed
WO-2011086098-A1 NOVEL SUBSTITUTED BICYCLIC TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC (US) 2011-07-21 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 (2 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-20110190269-A1 GAMMA SECRETASE MODULATORS BACE1, APH1A, APH1B PSEN1 6/4885PSEN2 8/4885APH1B 3/4885
US-20120295901-A1 NOVEL SUBSTITUTED BICYCLIC TRIAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A PSEN1 5/4885PSEN2 10/4885APH1B 4/4885

“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.