SCHEMBL2226701

SCHEMBL2226701

FC(F)(F)c1ccccc1C1CCCn2nc(Nc3ccc(-c4cccnc4)cc3)nc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 14/20 0.44
PSEN2 P49810 14/20 0.44
APH1B Q8WW43 14/20 0.44
NCSTN Q92542 14/20 0.44
APH1A Q96BI3 14/20 0.44
PSENEN Q9NZ42 14/20 0.44
CYP2C9 P11712 2/20 0.43
CYP3A4 P08684 1/20 0.43
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
PTK2 Q05397 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
RBP4 P02753 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
SYK P43405 1/20 0.35

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
SCHEMBL2229507 0.92 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2228152 0.84 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2228693 0.82 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2227685 0.81 PSEN1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2228252 0.80 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2226375 0.75 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL194734 0.72 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9282768 0.72 PSEN1 (0.54) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2230070 0.71 PSEN1 (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2284820 0.71 PSEN1 (0.76) 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 4 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-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-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 (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-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.