Sugi Predict

Sugi Predict / Compounds / SCHEMBL23906100

SCHEMBL23906100

SCHEMBL23906100

CC(C)c1nc(Oc2ccc(C(=O)O)c(F)c2F)c2cc3[nH]ncc3cc2c1-c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FGFR2 P21802 3/20 0.36
▸ MIF P14174 1/20 0.35
▸ DHODH Q02127 2/20 0.35
▸ FGFR1 P11362 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ MKNK1 Q9BUB5 2/20 0.33
▸ FABP3 P05413 1/20 0.33
▸ FABP4 P15090 1/20 0.33
▸ FABP5 Q01469 1/20 0.33
▸ CTNNB1 P35222 1/20 0.33
▸ WNT3A P56704 1/20 0.33
▸ GCGR P47871 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ DRD1 P21728 1/20 0.31
▸ ACLY P53396 1/20 0.31
▸ PPARA Q07869 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
SCHEMBL23906093 0.88 CTNNB1 (0.35) FGFR2MIFDHODHMAPK1MKNK1
SCHEMBL25475610 0.87 MIF (0.36) MIFMAPK1FABP3FABP4FABP5
SCHEMBL23906094 0.86 CTNNB1 (0.37) FGFR2MAPK1MKNK1CTNNB1WNT3A
SCHEMBL23905477 0.85 TTR (0.36) MAPK1MKNK1CTNNB1WNT3ANPC1
SCHEMBL23905458 0.84 PTGER4 (0.41) MAPK1CTNNB1WNT3ANPC1RAB9A
SCHEMBL23905579 0.84 FGFR2 (0.35) FGFR2MIFDHODHFGFR1MAPK1
SCHEMBL23906181 0.81 PRKAB2 (0.37) FGFR2MIFDHODHFGFR1MAPK1
SCHEMBL23906101 0.81 ROCK1 (0.40) DHODHMAPK1MKNK1GCGRNPC1
SCHEMBL25486136 0.81 FGFR2 (0.35) FGFR2FGFR1MAPK1MKNK1CTNNB1
SCHEMBL23906105 0.80 CTNNB1 (0.37) FGFR2DHODHFGFR1MAPK1FABP3

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 FGFR2 4885/4885MIF 4486/4885DHODH 1030/4885

“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.