Sugi Predict

Sugi Predict / Compounds / SCHEMBL23906105

SCHEMBL23906105

SCHEMBL23906105

CC(C)c1nc(-c2ccc(C(=O)O)c(F)c2)c2cc3[nH]ncc3cc2c1-c1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 1/20 0.37
▸ WNT3A P56704 1/20 0.37
▸ ROCK1 Q13464 6/20 0.37
▸ RPS6KB1 P23443 3/20 0.37
▸ ROCK2 O75116 3/20 0.37
▸ GSK3B P49841 3/20 0.37
▸ CDC7 O00311 2/20 0.37
▸ PLK4 O00444 2/20 0.37
▸ AURKA O14965 2/20 0.37
▸ PRKCG P05129 2/20 0.37
▸ CDK1 P06493 2/20 0.37
▸ PRKACA P17612 2/20 0.37
▸ CDK2 P24941 2/20 0.37
▸ AKT1 P31749 2/20 0.37
▸ GSK3A P49840 2/20 0.37
▸ IRAK1 P51617 2/20 0.37
▸ RPS6KA3 P51812 2/20 0.37
▸ PRKX P51817 2/20 0.37
▸ JAK3 P52333 2/20 0.37
▸ CDK5 Q00535 2/20 0.37

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
SCHEMBL23906101 0.89 ROCK1 (0.40) ROCK1ROCK2GSK3BNPC1RAB9A
SCHEMBL23906351 0.89 CTNNB1 (0.36) CTNNB1WNT3AROCK1RPS6KB1ROCK2
SCHEMBL25474980 0.88 MAPK1 (0.44) CTNNB1WNT3AROCK1RPS6KB1NPC1
SCHEMBL23906059 0.85 RXRA (0.40) CTNNB1WNT3AROCK1RPS6KB1ROCK2
SCHEMBL25475610 0.85 MIF (0.36) CTNNB1WNT3AROCK1ROCK2NPC1
SCHEMBL23906352 0.85 FABP3 (0.36) CTNNB1WNT3AROCK1RPS6KB1ROCK2
SCHEMBL23906060 0.84 CTNNB1 (0.38) CTNNB1WNT3ANPC1RAB9AMAPK1
SCHEMBL23906350 0.84 ROCK1 (0.37) ROCK1ROCK2GSK3BPRKAA1NPC1
SCHEMBL23906067 0.82 TGFBR1 (0.41) RPS6KB1MAPK1TGFBR1EGFRGRIA1
SCHEMBL23906188 0.80 FGFR1 (0.40) CTNNB1WNT3ANPC1RAB9AMAPK1

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 CTNNB1 1365/4885WNT3A 2853/4885ROCK1 1434/4885

“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.