Sugi Predict

Sugi Predict / Compounds / SCHEMBL7567757

SCHEMBL7567757

SCHEMBL7567757

CN1C(=N)N[C@](C)(c2cc(Br)cs2)C(c2ccc(N3CCCC3=O)cc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ AKR1C3 P42330 3/20 0.32
▸ HPGD P15428 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ NPC1 O15118 5/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ PKM P14618 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ GPR174 Q9BXC1 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ MAPK1 P28482 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
SCHEMBL7571441 0.94 CYP3A4 (0.31) CYP3A4
SCHEMBL13558722 0.94 CYP3A4 (0.31) CYP3A4
SCHEMBL8196485 0.86 F10 (0.38) CYP3A4CYP2C9AKR1C3HPGDALDH1A1
SCHEMBL14106054 0.85 BACE1 (0.34) CYP3A4CYP2C9ALDH1A1NPC1RAB9A
SCHEMBL14105065 0.83 GPR174 (0.34) CYP3A4CYP2C9AKR1C3HPGDALDH1A1
SCHEMBL7549999 0.83 — —
SCHEMBL7565393 0.82 BACE1 (0.46) CYP3A4CYP2C9
SCHEMBL8192459 0.80 AKR1C3 (0.33) AKR1C3HPGDALDH1A1NPC1RAB9A
SCHEMBL7549160 0.80 AKR1C3 (0.33) AKR1C3HPGDALDH1A1NPC1RAB9A
SCHEMBL7605023 0.80 MEN1 (0.36) CYP3A4CYP2C9AKR1C3HPGDALDH1A1

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 SYK 2827/4885CYP3A4 853/4885CYP2C9 1368/4885
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D SYK 1927/4885CYP3A4 871/4885CYP2C9 2038/4885
US-20120231017-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D SYK 1927/4885CYP3A4 871/4885CYP2C9 2038/4885

“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.