Sugi Predict

Sugi Predict / Compounds / SCHEMBL7549867

SCHEMBL7549867

SCHEMBL7549867

CN1C(=N)N[C@](C)(c2csc3c(-c4cccnc4)cccc23)CC1=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 4/20 0.40
▸ GPR35 Q9HC97 2/20 0.36
▸ CYP11B1 P15538 4/20 0.34
▸ CYP11B2 P19099 4/20 0.34
▸ CYP19A1 P11511 3/20 0.34
▸ CYP17A1 P05093 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ PDE4B Q07343 2/20 0.34
▸ PDE7A Q13946 2/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ CYP3A4 P08684 2/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ DHPS P49366 2/20 0.32
▸ PRKDC P78527 1/20 0.32
▸ BACE2 Q9Y5Z0 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
SCHEMBL8203982 0.91 BACE1 (0.35) BACE1CYP17A1CYP1A2BACE2
SCHEMBL14105008 0.89 BACE1 (0.40) BACE1GPR35CYP11B1CYP11B2CYP19A1
SCHEMBL7573715 0.88 CYP17A1 (0.33) BACE1CYP17A1CYP1A2
SCHEMBL7571209 0.87 PRKDC (0.32) PIK3CAPIK3CBPRKDC
SCHEMBL7576451 0.86 GPR35 (0.32) GPR35
SCHEMBL7563173 0.83 BRD4 (0.38) BACE1PDE7A
SCHEMBL7572879 0.82 IMPDH2 (0.32) PIK3CAPIK3CBPIK3CGPDE10A
SCHEMBL7554718 0.82 BRD4 (0.36) PDE10A
SCHEMBL2971783 0.82 BACE1 (0.43) BACE1BACE2
SCHEMBL2971780 0.82 BACE1 (0.43) BACE1BACE2

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 BACE1 8/4885GPR35 1335/4885CYP11B1 1584/4885
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D BACE1 1/4885GPR35 2603/4885CYP11B1 1636/4885
US-20120231017-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D BACE1 1/4885GPR35 2603/4885CYP11B1 1636/4885

“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.