Sugi Predict

Sugi Predict / Compounds / SCHEMBL4549147

SCHEMBL4549147

SCHEMBL4549147

C#Cc1cccc(-c2cc([C@]3(C)CC(=O)N(C)C(=N)N3)nn2C)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 8/20 0.38
▸ GABRA1 P14867 1/20 0.34
▸ GABRG2 P18507 1/20 0.34
▸ GABRB3 P28472 1/20 0.34
▸ GABRA5 P31644 1/20 0.34
▸ GABRA3 P34903 1/20 0.34
▸ GABRA2 P47869 1/20 0.34
▸ GABRB2 P47870 1/20 0.34
▸ CTSD P07339 2/20 0.33
▸ DDB1 Q16531 1/20 0.31
▸ CRBN Q96SW2 1/20 0.31
▸ BUB1 O43683 1/20 0.30
▸ PGR P06401 1/20 0.30

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
SCHEMBL7577744 0.91 BACE1 (0.47) BACE1CTSDPGR
SCHEMBL4549174 0.89 BACE1 (0.37) BACE1CTSDDDB1CRBN
SCHEMBL4549224 0.86 BACE1 (0.38) BACE1GABRA1GABRG2GABRB3GABRA5
SCHEMBL4556670 0.85 PGR (0.34) BACE1DDB1CRBNPGR
SCHEMBL7567315 0.85 DDB1 (0.33) BACE1GABRA1GABRG2GABRB3GABRA5
SCHEMBL8414657 0.85 BACE1 (0.35) BACE1DDB1CRBN
SCHEMBL4549159 0.84 BACE1 (0.40) BACE1GABRA1GABRG2GABRB3GABRA5
SCHEMBL4549227 0.84 BACE1 (0.40) BACE1GABRA1GABRG2GABRB3GABRA5
SCHEMBL4549151 0.83 MAP3K14 (0.37) BACE1GABRA1GABRG2GABRB3GABRA5
SCHEMBL2966065 0.83 BACE1 (0.37) BACE1DDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2644600-B1 Heterocyclic aspartyl protease inhibitors MERCK SHARP & DOHME (US) 2017-01-11 — — EP disclosed
US-8629155-B2 Aspartyl protease inhibitors MERCK SHARP & DOHME, CORP. (US) 2014-01-14 — — US disclosed
US-8629155-B2 Aspartyl protease inhibitors MERCK SHARP & DOHME, CORP. (US) 2014-01-14 — — US disclosed
EP-2644600-A1 Heterocyclic aspartyl protease inhibitors Merck Sharp & Dohme Corp. (US) 2013-10-02 — — EP disclosed
US-20120232064-A1 ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2012-09-13 — — US disclosed
US-20120232064-A1 ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2012-09-13 — — US disclosed
US-8168641-B2 Aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-01 — — US disclosed
US-8168641-B2 Aspartyl protease inhibitors SCHERING CORPORATION (US) 2012-05-01 — — US disclosed
US-20070287692-A1 ASPARTYL PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2007-12-13 — — US disclosed
US-20070287692-A1 ASPARTYL PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2007-12-13 — — 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 (2 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-20120232064-A1 ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, BACE1 BACE1 3/4885GABRA1 3054/4885GABRG2 4167/4885
US-20070287692-A1 ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, BACE1 BACE1 3/4885GABRA1 3054/4885GABRG2 4167/4885

“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.