Sugi Predict

Sugi Predict / Compounds / SCHEMBL23906351

SCHEMBL23906351

SCHEMBL23906351

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 1/20 0.36
▸ WNT3A P56704 1/20 0.36
▸ GRIA1 P42261 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ TGFBR1 P36897 1/20 0.35
▸ TRPA1 O75762 4/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ FGFR2 P21802 1/20 0.34
▸ ROCK1 Q13464 5/20 0.34
▸ GRK2 P25098 1/20 0.34
▸ DHODH Q02127 2/20 0.34
▸ FABP3 P05413 1/20 0.34
▸ FABP4 P15090 1/20 0.34
▸ FABP5 Q01469 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 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
SCHEMBL23906352 0.92 FABP3 (0.36) CTNNB1WNT3AGRIA1NPC1RAB9A
SCHEMBL23906350 0.91 ROCK1 (0.37) NPC1RAB9AMAPK1ROCK1DHODH
SCHEMBL23906105 0.89 CTNNB1 (0.37) CTNNB1WNT3AGRIA1NPC1RAB9A
SCHEMBL23906060 0.88 CTNNB1 (0.38) CTNNB1WNT3ANPC1RAB9AMAPK1
SCHEMBL23906093 0.84 CTNNB1 (0.35) CTNNB1WNT3AGRIA1NPC1RAB9A
SCHEMBL25474980 0.84 MAPK1 (0.44) CTNNB1WNT3AGRIA1NPC1RAB9A
SCHEMBL23906101 0.82 ROCK1 (0.40) NPC1RAB9AMAPK1ROCK1DHODH
SCHEMBL23906102 0.81 ROCK2 (0.40) CTNNB1WNT3ANPC1RAB9AROCK1
SCHEMBL23906059 0.80 RXRA (0.40) CTNNB1WNT3AMAPK1TGFBR1ROCK1
SCHEMBL23906188 0.78 FGFR1 (0.40) CTNNB1WNT3AGRIA1NPC1RAB9A

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 2853/4885GRIA1 1269/4885

“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.