Sugi Predict

Sugi Predict / Compounds / SCHEMBL23905576

SCHEMBL23905576

SCHEMBL23905576

CC(C)c1c(Oc2ccc(C(=O)O)cc2F)nc2cc3[nH]ncc3cc2c1-c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHEK2 O96017 1/20 0.37
▸ NR4A2 P43354 1/20 0.36
▸ CTNNB1 P35222 1/20 0.36
▸ WNT3A P56704 1/20 0.36
▸ RAB9A P51151 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ CSNK2A2 P19784 1/20 0.35
▸ CSNK2B P67870 1/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ ROCK2 O75116 2/20 0.34
▸ MKNK1 Q9BUB5 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ FGFR2 P21802 1/20 0.33
▸ KDM5A P29375 1/20 0.33
▸ KDM4C Q9H3R0 1/20 0.33
▸ KDM5B Q9UGL1 1/20 0.33
▸ MAOB P27338 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
SCHEMBL30251795 0.92 MKNK1 (0.37) CHEK2NR4A2CTNNB1WNT3ARAB9A
SCHEMBL23884496 0.92 MKNK1 (0.37) CHEK2NR4A2CTNNB1WNT3ARAB9A
SCHEMBL30252031 0.90 RXRA (0.43) CHEK2NR4A2CTNNB1WNT3ARAB9A
SCHEMBL23884399 0.90 RXRA (0.43) CHEK2NR4A2CTNNB1WNT3ARAB9A
SCHEMBL23905579 0.86 FGFR2 (0.35) CTNNB1WNT3ARAB9ANPC1MAPK1
SCHEMBL30251960 0.84 CSNK2A2 (0.40) CHEK2NR4A2CTNNB1WNT3ARAB9A
SCHEMBL23906334 0.84 CSNK2A2 (0.40) CHEK2NR4A2CTNNB1WNT3ARAB9A
SCHEMBL23906136 0.84 MIF (0.36) CHEK2CTNNB1WNT3ARAB9ANPC1
SCHEMBL23906094 0.84 CTNNB1 (0.37) CHEK2NR4A2CTNNB1WNT3ARAB9A
SCHEMBL23884784 0.83 MAPK1 (0.43) NR4A2CTNNB1WNT3ARAB9ANPC1

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 CHEK2 4299/4885NR4A2 2756/4885CTNNB1 1365/4885

“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.