Sugi Predict

Sugi Predict / Compounds / SCHEMBL23906352

SCHEMBL23906352

SCHEMBL23906352

CC(C)c1nc(-c2cc(Cl)c(C(=O)O)cc2F)c2cc3[nH]ncc3cc2c1-c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP3 P05413 1/20 0.36
▸ FABP4 P15090 1/20 0.36
▸ FABP5 Q01469 1/20 0.36
▸ MAPK1 P28482 2/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ PRKAA1 Q13131 2/20 0.33
▸ PRKAB2 O43741 1/20 0.33
▸ PRKAG1 P54619 1/20 0.33
▸ PRKAA2 P54646 1/20 0.33
▸ PRKAG3 Q9UGI9 1/20 0.33
▸ PRKAG2 Q9UGJ0 1/20 0.33
▸ PRKAB1 Q9Y478 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ FGFR2 P21802 1/20 0.33
▸ ROCK1 Q13464 2/20 0.33

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
SCHEMBL23906351 0.92 CTNNB1 (0.36) FABP3FABP4FABP5MAPK1CYP2C9
SCHEMBL23906350 0.88 ROCK1 (0.37) MAPK1PRKAA1PRKAB2PRKAG1PRKAA2
SCHEMBL23906060 0.85 CTNNB1 (0.38) MAPK1FGFR1FGFR2CTNNB1WNT3A
SCHEMBL23906105 0.85 CTNNB1 (0.37) FABP3FABP4FABP5MAPK1CYP2C9
SCHEMBL25474980 0.82 MAPK1 (0.44) MAPK1CYP2C9ROCK1CTNNB1WNT3A
SCHEMBL23906101 0.80 ROCK1 (0.40) MAPK1ROCK1DHODHNPC1RAB9A
SCHEMBL23906102 0.79 ROCK2 (0.40) ROCK1CTNNB1WNT3ANPC1RAB9A
SCHEMBL23906093 0.79 CTNNB1 (0.35) FABP3FABP4FABP5MAPK1CYP2C9
SCHEMBL23906067 0.77 TGFBR1 (0.41) MAPK1GRIA1TGFBR1RPS6KB1
SCHEMBL23906188 0.76 FGFR1 (0.40) MAPK1FGFR1FGFR2CTNNB1WNT3A

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 FABP3 3655/4885FABP4 4591/4885FABP5 4514/4885

“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.