SCHEMBL14718043

SCHEMBL14718043

CN(C)C(=O)Cn1nc(-c2cccc(C3(NS(=O)(=O)CC(F)(F)F)COC3)c2)cc1Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 6/20 0.32
GRIN1 Q05586 3/20 0.32
RAF1 P04049 2/20 0.32
BRAF P15056 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE2A O00408 2/20 0.31
SCN9A Q15858 4/20 0.31
MET P08581 1/20 0.31
KDR P35968 1/20 0.31
AGER Q15109 1/20 0.31
SCN10A Q9Y5Y9 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
SCHEMBL14727911 0.94 GRIN2B (0.34) GRIN2BGRIN1PDE2ASCN9AMET
SCHEMBL14718270 0.91 RAF1 (0.32) GRIN2BGRIN1RAF1BRAFPDE2A
SCHEMBL1658570 0.89 MMP2 (0.31) RAF1BRAFPDE2ASCN9AMET
SCHEMBL14718861 0.88 PDE2A (0.37) GRIN2BGRIN1RAF1BRAFPDE2A
SCHEMBL14718030 0.88 LMNA (0.41) GRIN2BGRIN1MEN1ALDH1A1POLB
SCHEMBL14727922 0.86 NTRK1 (0.33) RAF1BRAFKMT2APDE2AAGER
SCHEMBL6903422 0.85 PDE2A (0.34) GRIN2BGRIN1RAF1BRAFPDE2A
SCHEMBL14727927 0.85 CXCR1 (0.34) RAF1BRAFALDH1A1AGER
SCHEMBL6904513 0.84 SCN9A (0.36) GRIN2BGRIN1MEN1ALDH1A1POLB
SCHEMBL6904108 0.84 LMNA (0.31) MEN1POLBKMT2A

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-8871796-B2 Diaryl ether derivatives as notch sparing gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-28 US claimed
US-20130053386-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME LLC 2013-02-28 US claimed
US-8871796-B2 Diaryl ether derivatives as notch sparing gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-8871796-B2 Diaryl ether derivatives as notch sparing gamma secretase inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-20130053386-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME LLC 2013-02-28 US disclosed
US-20130053386-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME LLC 2013-02-28 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 (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-20130053386-A1 DIARYL ETHER DERIVATIVES AS NOTCH SPARING GAMMA SECRETASE INHIBITORS BACE1, BACE2, GSAP GRIN2B 1184/4885GRIN1 1359/4885RAF1 3089/4885

“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.