Sugi Predict

Sugi Predict / Compounds / SCHEMBL7572424

SCHEMBL7572424

SCHEMBL7572424

CN1C(=N)N[C@](C)(c2ccc(F)c(C#N)c2)[C@@H](c2ccc(C(F)(F)F)cc2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 4/20 0.37
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HTT P42858 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ PGR P06401 2/20 0.31
▸ PLA2G7 Q13093 6/20 0.31
▸ SMO Q99835 1/20 0.30
▸ ABCC9 O60706 1/20 0.30
▸ ABCC8 Q09428 1/20 0.30
▸ KCNJ11 Q14654 1/20 0.30
▸ KCNJ8 Q15842 1/20 0.30
▸ MAPT P10636 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
SCHEMBL13054170 1.00 AR (0.37) ARMEN1KMT2AHTTCYP3A4
SCHEMBL13054394 0.94 AR (0.36) ARPGRPLA2G7ABCC9ABCC8
SCHEMBL7551279 0.94 AR (0.36) ARPGRPLA2G7ABCC9ABCC8
SCHEMBL14106184 0.94 AR (0.36) ARPGRPLA2G7ABCC9ABCC8
SCHEMBL7589323 0.89 AR (0.33) ARHTTCYP3A4SMO
SCHEMBL7541540 0.88 MEN1 (0.35) ARMEN1KMT2A
SCHEMBL13054967 0.88 MEN1 (0.35) ARMEN1KMT2A
SCHEMBL13054594 0.85 ABCC9 (0.35) MEN1KMT2AABCC9ABCC8KCNJ11
SCHEMBL13081820 0.85 MEN1 (0.34) MEN1KMT2A
SCHEMBL7566880 0.85 ABCC9 (0.35) MEN1KMT2AABCC9ABCC8KCNJ11

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 AR 4122/4885MEN1 1192/4885KMT2A 4458/4885
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D AR 4760/4885MEN1 364/4885KMT2A 3390/4885
US-20120231017-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D AR 4760/4885MEN1 364/4885KMT2A 3390/4885

“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.