Sugi Predict

Sugi Predict / Compounds / SCHEMBL23906136

SCHEMBL23906136

SCHEMBL23906136

CC(C)c1c(Oc2ccc(C(=O)O)c(F)c2)nc2cc3[nH]ncc3cc2c1-c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MIF P14174 1/20 0.36
▸ HAO1 Q9UJM8 2/20 0.34
▸ DRD1 P21728 1/20 0.34
▸ DHODH Q02127 2/20 0.34
▸ CTNNB1 P35222 1/20 0.34
▸ WNT3A P56704 1/20 0.34
▸ PLG P00747 1/20 0.34
▸ PLAU P00749 1/20 0.34
▸ BTK Q06187 1/20 0.33
▸ XDH P47989 1/20 0.33
▸ ROCK2 O75116 3/20 0.33
▸ ROCK1 Q13464 2/20 0.33
▸ S1PR2 O95136 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CHEK2 O96017 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 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
SCHEMBL25475040 0.91 NPC1 (0.39) MIFHAO1DRD1DHODHPLG
SCHEMBL23884399 0.89 RXRA (0.43) HAO1CTNNB1WNT3AMAPK1CHEK2
SCHEMBL30252031 0.89 RXRA (0.43) HAO1CTNNB1WNT3AMAPK1CHEK2
SCHEMBL23905579 0.87 FGFR2 (0.35) MIFDHODHCTNNB1WNT3AROCK2
SCHEMBL25488576 0.86 DRD1 (0.35) DRD1MAPK1
SCHEMBL30251714 0.86 CYP1A2 (0.37) MIFHAO1DRD1DHODHCTNNB1
SCHEMBL23884414 0.86 CYP1A2 (0.37) MIFHAO1DRD1DHODHCTNNB1
SCHEMBL25475610 0.84 MIF (0.36) MIFHAO1DRD1CTNNB1WNT3A
SCHEMBL23905576 0.84 CHEK2 (0.37) CTNNB1WNT3AROCK2MAPK1CHEK2
SCHEMBL23884493 0.83 STK17A (0.43) CTNNB1WNT3AROCK2ROCK1DPP4

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 MIF 4486/4885HAO1 968/4885DRD1 577/4885

“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.