SCHEMBL6124677

SCHEMBL6124677

Cc1cn(-c2ccc(C=O)c3ncsc23)cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 14/20 0.34
PSEN2 P49810 14/20 0.34
APH1B Q8WW43 14/20 0.34
NCSTN Q92542 14/20 0.34
APH1A Q96BI3 14/20 0.34
PSENEN Q9NZ42 14/20 0.34
KCNH2 Q12809 5/20 0.33
EGLN2 Q96KS0 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
APP P05067 1/20 0.32
CYP2E1 P05181 1/20 0.32
CYP2A6 P11509 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
PABPC1 P11940 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL12946284 0.82 CYP2E1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8737550 0.79 PDE3B (0.35) PDE3BPDE3ACYP2E1CYP2A6
SCHEMBL6124679 0.78 CYP2E1 (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6124680 0.76 MEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6124676 0.74 PSEN1 (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10153121 0.72 NR2E1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6124667 0.72 MAOA (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9868208 0.71 EGLN2 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6124682 0.71 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6124684 0.70 PSEN1 (0.34) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487099-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2013-07-16 US disclosed
US-8487099-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2013-07-16 US disclosed
US-8450343-B2 Gamma secretase modulators SCHERING CORPORATION 2013-05-28 US disclosed
US-8450343-B2 Gamma secretase modulators SCHERING CORPORATION 2013-05-28 US disclosed
US-20120129846-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-05-24 US disclosed
US-20120129846-A1 GAMMA SECRETASE MODULATORS Merck, Sharp & Dohme, Corp. 2012-05-24 US disclosed
US-20120107328-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2012-05-03 US disclosed
US-20120107328-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2012-05-03 US disclosed
US-20110027264-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE SCHERING CORPORATION 2011-02-03 US disclosed
US-20110027264-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE SCHERING CORPORATION 2011-02-03 US disclosed
US-20110015190-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2011-01-20 US disclosed
US-20100298381-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2010-11-25 US disclosed
US-20100298381-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION 2010-11-25 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 (5 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-20120107328-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 PSEN1 3/4885PSEN2 8/4885APH1B 5/4885
US-20120129846-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 PSEN1 3/4885PSEN2 8/4885APH1B 9/4885
US-20110027264-A1 GAMMA SECRETASE MODULATORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE BACE1, BACE2, PSEN1 PSEN1 3/4885PSEN2 5/4885APH1B 7/4885
US-20100298381-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSENEN PSEN1 4/4885PSEN2 9/4885APH1B 7/4885
US-20110015190-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 PSEN1 3/4885PSEN2 4/4885APH1B 6/4885

“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.