Sugi Predict

Sugi Predict / Compounds / SCHEMBL23906298

SCHEMBL23906298

SCHEMBL23906298

CC(O[C@H]1C[C@H](Oc2nc(C(C)C)c(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)C1)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.33
▸ CTNNB1 P35222 1/20 0.32
▸ WNT3A P56704 1/20 0.32
▸ ROCK1 Q13464 6/20 0.32
▸ RPS6KB1 P23443 3/20 0.32
▸ RPS6KA1 Q15418 3/20 0.32
▸ MET P08581 1/20 0.32
▸ GRK2 P25098 1/20 0.32
▸ GRK5 P34947 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ GCGR P47871 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ MKNK1 Q9BUB5 2/20 0.31
▸ SGK1 O00141 2/20 0.31
▸ IDO1 P14902 1/20 0.30

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
SCHEMBL23884510 0.89 MAPK1 (0.34) MAPK1CTNNB1WNT3AROCK1RPS6KB1
SCHEMBL23905473 0.89 MAPK1 (0.34) MAPK1CTNNB1WNT3AROCK1RPS6KB1
SCHEMBL30251968 0.89 MAPK1 (0.34) MAPK1CTNNB1WNT3AROCK1RPS6KB1
SCHEMBL23906107 0.88 CTNNB1 (0.33) MAPK1CTNNB1WNT3AROCK1RPS6KB1
SCHEMBL23906108 0.88 CTNNB1 (0.33) MAPK1CTNNB1WNT3AROCK1RPS6KB1
SCHEMBL23884660 0.85 MAPK1 (0.35) MAPK1ROCK1RPS6KB1RPS6KA1GRK2
SCHEMBL30252034 0.85 MAPK1 (0.35) MAPK1ROCK1RPS6KB1RPS6KA1GRK2
SCHEMBL23906055 0.85 MAPK1 (0.35) MAPK1ROCK1RPS6KB1RPS6KA1GRK2
SCHEMBL23906092 0.85 CDC7 (0.34) MAPK1SGK1
SCHEMBL23906103 0.85 DGAT1 (0.39) MAPK1CTNNB1WNT3AROCK1RPS6KB1

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 MAPK1 1660/4885CTNNB1 1365/4885WNT3A 2853/4885

“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.