SCHEMBL23906147

SCHEMBL23906147

O=C(O)c1ccc(Oc2nc3cc4[nH]ncc4cc3c(-c3ccc(F)cc3)c2C2CCOCC2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 3/20 0.36
PRKAG1 P54619 3/20 0.36
PRKAA2 P54646 3/20 0.36
PRKAA1 Q13131 3/20 0.36
PRKAG3 Q9UGI9 3/20 0.36
PRKAG2 Q9UGJ0 3/20 0.36
PRKAB1 Q9Y478 3/20 0.36
CDC7 O00311 1/20 0.36
PDE10A Q9Y233 1/20 0.34
NAMPT P43490 1/20 0.34
MAPK1 P28482 6/20 0.33
ROCK1 Q13464 2/20 0.32
MAP4K4 O95819 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
MAPK9 P45984 1/20 0.32
CSNK1D P48730 1/20 0.32
PRKD2 Q9BZL6 1/20 0.32
SLK Q9H2G2 1/20 0.32
HAO1 Q9UJM8 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
SCHEMBL25475055 0.90 PDE10A (0.40) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL23906337 0.85 PRKAB2 (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL23906449 0.85 EGLN1 (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL23906144 0.81 CDC7 (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL23906136 0.81 MIF (0.36) MAPK1ROCK1HAO1MIFDHODH
SCHEMBL23884414 0.80 CYP1A2 (0.37) ROCK1HAO1MIFDHODH
SCHEMBL30251714 0.80 CYP1A2 (0.37) ROCK1HAO1MIFDHODH
SCHEMBL23906446 0.79 NAMPT (0.41) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL25474929 0.79 MAPK1 (0.35) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL23884455 0.78 PRKAB2 (0.39) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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 PRKAB2 1493/4885PRKAG1 549/4885PRKAA2 1912/4885

“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.