Sugi Predict

Sugi Predict / Compounds / SCHEMBL7565039

SCHEMBL7565039

SCHEMBL7565039

COc1ccc(-c2cncc([C@]3(C)CC(=O)N(C)C(=N)N3)c2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OTUD7B Q6GQQ9 2/20 0.38
▸ TOP1 P11387 1/20 0.36
▸ BACE1 P56817 3/20 0.35
▸ CTSD P07339 1/20 0.35
▸ BACE2 Q9Y5Z0 1/20 0.35
▸ ALPL P05186 2/20 0.35
▸ CYP2A6 P11509 1/20 0.34
▸ PDGFRB P09619 1/20 0.34
▸ PDGFRA P16234 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ PIK3CA P42336 2/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CB P42338 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ RIOK2 Q9BVS4 3/20 0.34
▸ MTOR P42345 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ ATR Q13535 1/20 0.34

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
SCHEMBL8204664 0.88 BACE1 (0.45) OTUD7BTOP1BACE1CTSDBACE2
SCHEMBL7580303 0.82 BACE1 (0.52) BACE1CTSDBACE2CYP1A2CYP11B1
SCHEMBL7572058 0.82 BACE1 (0.35) BACE1CTSDBACE2
SCHEMBL7551784 0.81 BACE1 (0.46) OTUD7BBACE1CTSDBACE2CYP11B1
SCHEMBL14106186 0.79 BACE1 (0.33) BACE1CYP11B1CYP11B2
SCHEMBL7554828 0.79 BACE1 (0.38) BACE1CTSD
SCHEMBL8433906 0.78 BACE1 (0.42) BACE1BACE2
SCHEMBL7564181 0.76 ADAMTS5 (0.32) BACE1
SCHEMBL7543372 0.75 BACE1 (0.41) BACE1CTSDBACE2
SCHEMBL7573606 0.75 BACE1 (0.52) OTUD7BBACE1CTSDBACE2CYP11B2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8829036-B2 Heterocyclic aspartyl protease inhibitors MERCK SHARP & DOHME CORP. (US) 2014-09-09 — — US disclosed
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-11-01 — — US disclosed
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-11-01 — — US disclosed
US-20120231017-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-09-13 — — US disclosed
US-20120231017-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS PHARMACOPEIA INC. (US) 2012-09-13 — — US disclosed
US-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 — — US disclosed
US-8183252-B2 Heterocyclic aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-22 — — US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 — — US disclosed
US-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION 2010-11-18 — — 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 (3 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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 OTUD7B 2878/4885TOP1 3964/4885BACE1 8/4885
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D OTUD7B 3669/4885TOP1 2584/4885BACE1 1/4885
US-20120231017-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D OTUD7B 3669/4885TOP1 2584/4885BACE1 1/4885

“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.