Sugi Predict

Sugi Predict / Compounds / SCHEMBL23906332

SCHEMBL23906332

SCHEMBL23906332

COc1cc(Oc2nc(C3CCOCC3)c(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)ccc1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GCK P35557 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PLG P00747 1/20 0.34
▸ PLAU P00749 1/20 0.34
▸ PRKAB2 O43741 2/20 0.33
▸ PRKAG1 P54619 2/20 0.33
▸ PRKAA2 P54646 2/20 0.33
▸ PRKAA1 Q13131 2/20 0.33
▸ PRKAG3 Q9UGI9 2/20 0.33
▸ PRKAG2 Q9UGJ0 2/20 0.33
▸ PRKAB1 Q9Y478 2/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.33
▸ CDC7 O00311 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ MIF P14174 1/20 0.32
▸ PDE10A Q9Y233 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
SCHEMBL25474924 0.93 GCK (0.36) GCKKDM4ENPC1LMNARAB9A
SCHEMBL23906184 0.91 PRKAB2 (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL23906337 0.91 PRKAB2 (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL23906177 0.88 PRKAB2 (0.35) NPC1RAB9APRKAB2PRKAG1PRKAA2
SCHEMBL23906181 0.88 PRKAB2 (0.37) KDM4ELMNAPRKAB2PRKAG1PRKAA2
SCHEMBL23905412 0.88 GCK (0.37) GCKKDM4ENPC1LMNARAB9A
SCHEMBL23906088 0.87 PDE10A (0.39) NPC1RAB9APRKAB2PRKAG1PRKAA2
SCHEMBL23906087 0.87 LRRK2 (0.35) MKNK1CDC7DRD1MAP4K1
SCHEMBL25474929 0.84 MAPK1 (0.35) GCKPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL23906412 0.84 PRKAB2 (0.35) GCKNPC1LMNARAB9APRKAB2

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 790/4885KDM4E 4443/4885NPC1 518/4885

“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.