Sugi Predict

Sugi Predict / Compounds / SCHEMBL7601107

SCHEMBL7601107

SCHEMBL7601107

CN1C(=N)N[C@](C)(c2cnc(-c3ccc(-c4ccccc4)c(F)c3)s2)CC1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ CCNT1 O60563 1/20 0.31
▸ CDK9 P50750 1/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ FEN1 P39748 5/20 0.31
▸ ALOX5AP P20292 4/20 0.31
▸ FASN P49327 1/20 0.30
▸ PTGS1 P23219 3/20 0.30
▸ MEN1 O00255 2/20 0.30
▸ PTGS2 P35354 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ FABP2 P12104 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ AKR1C4 P17516 1/20 0.30
▸ ADRA2B P18089 1/20 0.30
▸ CHRM3 P20309 1/20 0.30
▸ HTR2C P28335 1/20 0.30
▸ DRD3 P35462 1/20 0.30
▸ AKR1C3 P42330 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
SCHEMBL8202351 0.88 BACE1 (0.34) BACE1LMNAMAPT
SCHEMBL7551472 0.86 ADORA3 (0.35) BACE1TSHRCYP1A2
SCHEMBL7604274 0.83 PTPN11 (0.33) —
SCHEMBL8437235 0.83 ADORA3 (0.34) BACE1MEN1KMT2AMAPT
SCHEMBL7602991 0.82 NPC1 (0.42) BACE1MEN1KMT2ALMNAMAPT
SCHEMBL7604843 0.82 PLA2G7 (0.37) BACE1
SCHEMBL2968650 0.80 BACE1 (0.47) BACE1TSHRCYP1A2CYP2C9
SCHEMBL2969183 0.80 BACE1 (0.47) BACE1TSHRCYP1A2CYP2C9
SCHEMBL7604641 0.79 TGFBR1 (0.35) BACE1
SCHEMBL4549215 0.79 BACE1 (0.40) BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
WO-2008103351-A2 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS SCHERING CORPORATION (US) 2008-08-28 — — WO 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 PDE3B 3103/4885PDE3A 2189/4885CCNT1 358/4885
US-20120276118-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D PDE3B 1976/4885PDE3A 887/4885CCNT1 394/4885
US-20120231017-A1 HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS BACE1, PRSS1, TMPRSS11D PDE3B 1976/4885PDE3A 887/4885CCNT1 394/4885

“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.