SCHEMBL2227596

SCHEMBL2227596

COc1cc(Nc2nc3c(-c4ccccc4C(F)(F)F)cccn3n2)ccc1-n1cnc(C)n1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 6/20 0.55
PSEN2 P49810 6/20 0.55
APH1B Q8WW43 6/20 0.55
NCSTN Q92542 6/20 0.55
APH1A Q96BI3 6/20 0.55
PSENEN Q9NZ42 6/20 0.55
JAK2 O60674 14/20 0.50
JAK3 P52333 14/20 0.50
PTK2 Q05397 11/20 0.47

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
SCHEMBL2228593 0.92 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2228174 0.79 JAK2 (0.49) JAK2JAK3PTK2
SCHEMBL12518222 0.79 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13837007 0.76 PSEN1 (0.67) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2230070 0.76 PSEN1 (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL415493 0.75 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21068653 0.74 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21068651 0.74 PSEN1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13836778 0.74 JAK2 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12518514 0.73 JAK2 (0.43) JAK2JAK3PTK2

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 6 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-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.