SCHEMBL2625738

SCHEMBL2625738

Cc1cn(-c2ccc(Br)nc2CO)cn1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 18/20 0.37
PSEN2 P49810 18/20 0.37
APH1B Q8WW43 18/20 0.37
NCSTN Q92542 18/20 0.37
APH1A Q96BI3 18/20 0.37
PSENEN Q9NZ42 18/20 0.37
KCNH2 Q12809 2/20 0.37
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP2E1 P05181 1/20 0.35
CYP2A6 P11509 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
SCHEMBL2625739 0.82 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7803932 0.80 CYP2E1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7905897 0.80 CYP2E1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20021427 0.79 MEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL154721 0.78 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL909230 0.77 PSEN1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20021451 0.75 PSEN1 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20021423 0.74 PSEN1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20021439 0.72 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20021457 0.72 PSEN1 (0.43) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180093967-A1 POTENT GAMMA-SECRETASE MODULATORS THE GENERAL HOSPITAL CORPORATION 2018-04-05 US disclosed
US-8835482-B2 Substituted indazole and aza-indazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2014-09-16 US disclosed
US-8772504-B2 Substituted benzoxazole, benzimidazole, oxazolopyridine and imidazopyridine derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2014-07-08 US disclosed
US-8546440-B2 Substituted bicyclic imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2013-10-01 US disclosed
US-20120095036-A1 NOVEL SUBSTITUTED INDAZOLE AND AZA-INDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-04-19 US disclosed
US-20120022090-A1 NOVEL SUBSTITUTED BENZOXAZOLE, BENZIMIDAZOLE, OXAZOLOPYRIDINE AND IMIDAZOPYRIDINE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-01-26 US disclosed
US-20110237580-A1 SUBSTITUTED BICYCLIC IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS Janssen Pharmaceuticals, Inc. 2011-09-29 US 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-20120095036-A1 NOVEL SUBSTITUTED INDAZOLE AND AZA-INDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A PSEN1 5/4885PSEN2 27/4885APH1B 4/4885
US-20110237580-A1 SUBSTITUTED BICYCLIC IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 PSEN1 3/4885PSEN2 4/4885APH1B 8/4885
US-20120022090-A1 NOVEL SUBSTITUTED BENZOXAZOLE, BENZIMIDAZOLE, OXAZOLOPYRIDINE AND IMIDAZOPYRIDINE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, GSAP PSEN1 4/4885PSEN2 6/4885APH1B 13/4885
US-20180093967-A1 POTENT GAMMA-SECRETASE MODULATORS BACE1, BACE2, APP PSEN1 4/4885PSEN2 7/4885APH1B 8/4885

“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.