Sugi Predict

Sugi Predict / Compounds / SCHEMBL23906144

SCHEMBL23906144

SCHEMBL23906144

O=C(O)C1CC(Oc2nc3cc4[nH]ncc4cc3c(-c3ccc(F)cc3)c2C2CCOCC2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.35
▸ PDE10A Q9Y233 7/20 0.34
▸ APOL1 O14791 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
▸ NAMPT P43490 1/20 0.32
▸ MAP4K1 Q92918 2/20 0.32
▸ DGAT1 O75907 1/20 0.32
▸ FABP4 P15090 1/20 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

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
SCHEMBL23906415 0.85 CDC7 (0.36) CDC7LRRK2PDE10AAPOL1PRKAB2
SCHEMBL23887912 0.84 ESR1 (0.37) PDE10AAPOL1PRKAB2PRKAG1PRKAA2
SCHEMBL25475055 0.83 PDE10A (0.40) CDC7PDE10APRKAB2PRKAG1PRKAA2
SCHEMBL23905564 0.82 MAPK1 (0.34) NAMPTDGAT1GRIA1
SCHEMBL30251784 0.82 MAPK1 (0.34) NAMPTDGAT1GRIA1
SCHEMBL23884576 0.82 MAPK1 (0.34) NAMPTDGAT1GRIA1
SCHEMBL23905561 0.82 MAPK1 (0.34) NAMPTDGAT1GRIA1
SCHEMBL23906449 0.81 EGLN1 (0.36) CDC7PDE10APRKAB2PRKAG1PRKAA2
SCHEMBL23906147 0.81 PRKAB2 (0.36) CDC7PDE10APRKAB2PRKAG1PRKAA2
SCHEMBL23906446 0.80 NAMPT (0.41) CDC7PRKAB2PRKAG1PRKAA2PRKAA1

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 CDC7 3126/4885LRRK2 4152/4885PDE10A 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.