Sugi Predict

Sugi Predict / Compounds / SCHEMBL7546136

SCHEMBL7546136

SCHEMBL7546136

CN1C(=N)N[C@](c2ccccc2)(c2cccc(Br)c2)CC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 4/20 0.39
▸ LDHA P00338 1/20 0.39
▸ LDHB P07195 1/20 0.39
▸ HSD11B1 P28845 1/20 0.36
▸ CHRM3 P20309 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CHRM2 P08172 1/20 0.34
▸ HCAR3 P49019 1/20 0.34
▸ HCAR2 Q8TDS4 1/20 0.34
▸ UTS2R Q9UKP6 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ MGAT2 Q10469 1/20 0.33
▸ CCNB2 O95067 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ CCNB3 Q8WWL7 1/20 0.33
▸ GABRA1 P14867 1/20 0.33

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
SCHEMBL14105329 0.87 BACE1 (0.41) BACE1HSD11B1CHRM3CHRM2TSHR
SCHEMBL7565109 0.84 BACE1 (0.37) BACE1LDHALDHBCHRM3CHRM2
SCHEMBL7526798 0.82 ALDH1A1 (0.37) BACE1HSD11B1MEN1KMT2AHCAR3
SCHEMBL7550171 0.82 ALDH1A1 (0.37) BACE1HSD11B1MEN1KMT2AHCAR3
SCHEMBL7571725 0.80 BACE1 (0.57) BACE1CHRM3CHRM2
SCHEMBL7569421 0.79 BACE1 (0.59) BACE1
SCHEMBL7567182 0.79 PTGS2 (0.42) BACE1KMT2ACYP2C19GABRA1GABRB2
SCHEMBL7558797 0.79 TSHR (0.35) BACE1HSD11B1MEN1KMT2AUTS2R
SCHEMBL7530702 0.75 CNR1 (0.40) TSHRCYP2C19
SCHEMBL7543070 0.74 HSD11B1 (0.39) BACE1HSD11B1MEN1KMT2AHCAR3

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
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-20120231018-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 (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-20100292203-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS CHRM1, CHRM2, PRSS1 BACE1 8/4885LDHA 4560/4885LDHB 3759/4885
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D BACE1 1/4885LDHA 3732/4885LDHB 3228/4885
US-20120231018-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D BACE1 1/4885LDHA 3732/4885LDHB 3228/4885
US-20120231017-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D BACE1 1/4885LDHA 3732/4885LDHB 3228/4885

“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.