SCHEMBL23906186

SCHEMBL23906186

CP(C)(=O)c1ccc(Oc2nc(C3CCOCC3)c(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 3/20 0.36
CDC7 O00311 2/20 0.35
PDE10A Q9Y233 3/20 0.33
CYP2C9 P11712 1/20 0.33
GRIA1 P42261 1/20 0.33
CACNG2 Q9Y698 1/20 0.33
ROCK1 Q13464 2/20 0.32
SGK1 O00141 2/20 0.32
LRRK2 Q5S007 1/20 0.32
EGFR P00533 2/20 0.31
MAP4K4 O95819 1/20 0.31
ERBB2 P04626 1/20 0.31
MAPK9 P45984 1/20 0.31
CSNK1D P48730 1/20 0.31
PRKD2 Q9BZL6 1/20 0.31
SLK Q9H2G2 1/20 0.31
GSK3B P49841 2/20 0.31
DAPK3 O43293 1/20 0.31
DYRK3 O43781 1/20 0.31
ROCK2 O75116 1/20 0.31

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
SCHEMBL23906084 0.93 DRD1 (0.35) DRD1CDC7PDE10ACYP2C9GRIA1
SCHEMBL23906077 0.92 CDC7 (0.35) DRD1CDC7PDE10ACYP2C9GRIA1
SCHEMBL23906404 0.87 DRD1 (0.34) DRD1PDE10AROCK1LRRK2ROCK2
SCHEMBL23906088 0.86 PDE10A (0.39) DRD1CDC7PDE10ANAMPTSCN9A
SCHEMBL23906337 0.83 PRKAB2 (0.37) DRD1CDC7PDE10ACYP2C9GRIA1
SCHEMBL23906332 0.82 GCK (0.37) DRD1CDC7PDE10AROCK1
SCHEMBL23906406 0.80 PDE10A (0.35) DRD1PDE10AROCK1LRRK2ROCK2
SCHEMBL23906412 0.80 PRKAB2 (0.35) CDC7PDE10AMAPK1NAMPT
SCHEMBL23906181 0.80 PRKAB2 (0.37) CDC7CYP2C9GRIA1CACNG2LRRK2
SCHEMBL30252013 0.79 PDE10A (0.36) DRD1CDC7PDE10ASGK1FAAH

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 DRD1 577/4885CDC7 3126/4885PDE10A 3268/4885

“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.