SCHEMBL30450040

SCHEMBL30450040

CC(C)c1c(N[C@@H](C)C(=O)OCc2ccccc2)nc2cc3[nH]ncc3cc2c1-c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
DHODH Q02127 1/20 0.38
ROCK2 O75116 6/20 0.36
ROCK1 Q13464 3/20 0.36
DYRK1A Q13627 2/20 0.36
AURKB Q96GD4 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
STK17A Q9UEE5 2/20 0.36
CLK2 P49760 1/20 0.36
BLK P51451 1/20 0.36
CSNK2A1 P68400 1/20 0.36
STK3 Q13188 1/20 0.36
MGLL Q99685 1/20 0.35
AAK1 Q2M2I8 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 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
SCHEMBL25193488 1.00 MAPT (0.42) MAPTALDH1A1HPGDHSD17B10DHODH
SCHEMBL23906427 1.00 MAPT (0.42) MAPTALDH1A1HPGDHSD17B10DHODH
SCHEMBL25193490 1.00 MAPT (0.42) MAPTALDH1A1HPGDHSD17B10DHODH
SCHEMBL30251732 0.87 MAPK1 (0.38) ROCK2ROCK1DYRK1AAURKBCLK4
SCHEMBL30252004 0.87 MAPK1 (0.38) ROCK2ROCK1DYRK1AAURKBCLK4
SCHEMBL23884402 0.87 MAPK1 (0.38) ROCK2ROCK1DYRK1AAURKBCLK4
SCHEMBL23884524 0.87 MAPK1 (0.38) ROCK2ROCK1DYRK1AAURKBCLK4
SCHEMBL23884405 0.87 MAPK1 (0.38) ROCK2ROCK1DYRK1AAURKBCLK4
SCHEMBL25193492 0.82 ROCK2 (0.37) ROCK2ROCK1DYRK1AAURKBCLK4
SCHEMBL23884485 0.77 LATS1 (0.37) ROCK2ROCK1CYP3A4MAPK1RPS6KB1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12624028-B2 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 (US) 2026-05-12 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-12624028-B2 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, SERPINC1, SERPINH1 MAPT 1921/4885ALDH1A1 2048/4885HPGD 733/4885
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 MAPT 1594/4885ALDH1A1 638/4885HPGD 167/4885

“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.