Sugi Predict

Sugi Predict / Compounds / SCHEMBL23906231

SCHEMBL23906231

SCHEMBL23906231

COc1cc(-c2c(C(C)C)c(-c3ccc(C(=O)O)cc3)nc3c(C)c4[nH]ncc4cc23)ccc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NEK2 P51955 1/20 0.37
▸ GRK6 P43250 1/20 0.35
▸ PAX8 Q06710 1/20 0.34
▸ ROCK2 O75116 2/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ CHEK1 O14757 1/20 0.33
▸ PDGFRB P09619 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ MAP4K1 Q92918 1/20 0.32
▸ TLR9 Q9NR96 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32
▸ MAPK1 P28482 3/20 0.32
▸ MAP2K4 P45985 2/20 0.32
▸ MAPK6 Q16659 2/20 0.32
▸ MAPKAPK3 Q16644 1/20 0.32
▸ GPR35 Q9HC97 1/20 0.32
▸ RORC P51449 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32

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
SCHEMBL30251754 0.91 DHODH (0.35) ROCK2MAPK1MAP2K4MAPK6MAPKAPK3
SCHEMBL23884632 0.91 DHODH (0.35) ROCK2MAPK1MAP2K4MAPK6MAPKAPK3
SCHEMBL23905597 0.87 MAPK1 (0.40) MAPK1MAP2K4MAPK6MAPKAPK3ADORA2A
SCHEMBL23906431 0.85 RXRA (0.37) MAPK1MAP2K4MAPK6MAPKAPK3
SCHEMBL23905592 0.84 ROCK2 (0.38) ROCK2ROCK1
SCHEMBL23906219 0.84 MAP2K4 (0.38) MAPK1MAP2K4MAPK6MAPKAPK3
SCHEMBL23906139 0.84 ROCK2 (0.38) NEK2ROCK2ROCK1GPR35ADORA2A
SCHEMBL23884527 0.83 NEK2 (0.38) NEK2GRK6ROCK2ROCK1CHEK1
SCHEMBL30251867 0.83 NEK2 (0.38) NEK2GRK6ROCK2ROCK1CHEK1
SCHEMBL23906223 0.82 MAP2K4 (0.36) ROCK2ROCK1MAPK1MAP2K4MAPK6

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 NEK2 1763/4885GRK6 3888/4885PAX8 4424/4885

“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.