Sugi Predict

Sugi Predict / Compounds / SCHEMBL23905412

SCHEMBL23905412

SCHEMBL23905412

COc1cc(Oc2nc(C3CCOCC3)c(-c3ccnc(C)c3)c3cc4cn[nH]c4cc23)ccc1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 1/20 0.37
▸ DRD1 P21728 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TLR8 Q9NR97 3/20 0.34
▸ TLR9 Q9NR96 2/20 0.34
▸ TLR7 Q9NYK1 2/20 0.34
▸ SRC P12931 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ MAPK1 P28482 2/20 0.32
▸ IRAK4 Q9NWZ3 2/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ CYP4F2 P78329 1/20 0.32
▸ CYP4A11 Q02928 1/20 0.32
▸ HCRTR1 O43613 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
SCHEMBL23905411 0.90 TOP2A (0.35) TLR8TLR9TLR7SRCSYK
SCHEMBL23905409 0.89 PDE10A (0.38) DRD1TLR8TLR9TLR7MAPK1
SCHEMBL25474924 0.88 GCK (0.36) GCKDRD1KDM4ENPC1LMNA
SCHEMBL23906332 0.88 GCK (0.37) GCKDRD1KDM4ENPC1LMNA
SCHEMBL23905417 0.88 TOP2A (0.34) TLR8TLR9TLR7SRCSYK
SCHEMBL23905425 0.87 TOP2A (0.36) TLR8TLR9TLR7SYKMAPK1
SCHEMBL23905422 0.87 TLR9 (0.35) TLR8TLR9TLR7SRCSYK
SCHEMBL25474894 0.85 BTK (0.39) TLR8TLR9TLR7SRCMAPK1
SCHEMBL23905410 0.85 PDE10A (0.38) DRD1TLR8TLR9TLR7MAPK1
SCHEMBL23906407 0.83 PDE10A (0.35) DRD1TLR8TLR9TLR7SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 — — US disclosed
US-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 — — US disclosed
WO-2021203025-A1 1 H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1 H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-10-07 — — 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 (1 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-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINE1, SERPINA3 GCK 790/4885DRD1 577/4885KDM4E 4443/4885

“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.