Sugi Predict

Sugi Predict / Compounds / SCHEMBL23905626

SCHEMBL23905626

SCHEMBL23905626

COc1c(-c2ccc(C(=O)O)cc2F)nc2cc3[nH]ncc3cc2c1-c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 2/20 0.40
▸ CSNK2B P67870 2/20 0.40
▸ DHODH Q02127 1/20 0.38
▸ PTGFR P43088 2/20 0.38
▸ NR4A2 P43354 1/20 0.37
▸ CTNNB1 P35222 1/20 0.37
▸ WNT3A P56704 1/20 0.37
▸ MAOB P27338 2/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CHEK2 O96017 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ FGFR2 P21802 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MAP2K4 P45985 1/20 0.36
▸ MAPK6 Q16659 1/20 0.36
▸ RORC P51449 1/20 0.35
▸ ROCK2 O75116 2/20 0.35
▸ NAMPT P43490 2/20 0.35
▸ ROCK1 Q13464 1/20 0.34

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
SCHEMBL25475102 0.92 CSNK2A2 (0.39) CSNK2A2CSNK2BDHODHPTGFRNR4A2
SCHEMBL23905630 0.92 MAOB (0.42) CSNK2A2CSNK2BDHODHNR4A2CTNNB1
SCHEMBL25193817 0.91 CSNK2A2 (0.38) CSNK2A2CSNK2BPTGFRNR4A2CTNNB1
SCHEMBL30251739 0.91 CSNK2A2 (0.38) CSNK2A2CSNK2BPTGFRNR4A2CTNNB1
SCHEMBL23884588 0.90 DHODH (0.45) CSNK2A2CSNK2BDHODHPTGFRNR4A2
SCHEMBL25489640 0.89 CSNK2A2 (0.37) CSNK2A2CSNK2BPTGFRNR4A2CTNNB1
SCHEMBL23906334 0.86 CSNK2A2 (0.40) CSNK2A2CSNK2BPTGFRNR4A2CTNNB1
SCHEMBL30251960 0.86 CSNK2A2 (0.40) CSNK2A2CSNK2BPTGFRNR4A2CTNNB1
SCHEMBL30251930 0.85 DHODH (0.43) DHODHNPC1RAB9AROCK2
SCHEMBL23905631 0.84 DHODH (0.41) DHODHCTNNB1WNT3AMAOBNPC1

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 CSNK2A2 2506/4885CSNK2B 2202/4885DHODH 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.