Sugi Predict

Sugi Predict / Compounds / SCHEMBL8737273

SCHEMBL8737273

SCHEMBL8737273

Cc1cn(-c2ccc(C)c3c(C)csc23)cn1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 15/20 0.41
▸ PSEN2 P49810 15/20 0.41
▸ APH1B Q8WW43 15/20 0.41
▸ NCSTN Q92542 15/20 0.41
▸ APH1A Q96BI3 15/20 0.41
▸ PSENEN Q9NZ42 15/20 0.41
▸ CYP2E1 P05181 1/20 0.36
▸ CYP2A6 P11509 1/20 0.36
▸ EGLN2 Q96KS0 1/20 0.34
▸ CYP3A4 P08684 6/20 0.33
▸ CYP2C19 P33261 4/20 0.33
▸ KCNH2 Q12809 4/20 0.33
▸ CYP2C9 P11712 3/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ QPCT Q16769 1/20 0.32

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
SCHEMBL6124249 0.85 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8737454 0.79 CYP3A4 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12946284 0.76 CYP2E1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL10280852 0.72 CYP2E1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6124254 0.69 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13081168 0.69 PSEN1 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6127812 0.68 KDM4E (0.33) CYP2A6
SCHEMBL6127898 0.68 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8062051 0.67 HCAR1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL6124677 0.65 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809318-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2014-08-19 — — US disclosed
US-8487099-B2 Gamma secretase modulators MERCK SHARP & DOHME CORP. (US) 2013-07-16 — — US disclosed
US-8426595-B2 Gamma secretase modulators MERCK SHARP & DOHME LLC 2013-04-23 — — 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-20110306593-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2011-12-15 — — US disclosed
US-20110263529-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2011-10-27 — — 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-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-20110306593-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 PSEN1 3/4885PSEN2 7/4885APH1B 8/4885
US-20110263529-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 PSEN1 3/4885PSEN2 8/4885APH1B 9/4885

“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.