SCHEMBL25215968

SCHEMBL25215968

Cc1cc(-c2c(C3CCOCC3)nc(OC3CC(C(=O)N[C@@H](C)CO)C3)c3cc4c(cnn4C4CCCCO4)cc23)ccn1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
TLR9 Q9NR96 5/20 0.34
TLR8 Q9NR97 5/20 0.34
TLR7 Q9NYK1 5/20 0.34
MAPK1 P28482 5/20 0.33
PRKD1 Q15139 1/20 0.32
PRKD2 Q9BZL6 1/20 0.32
ATR Q13535 2/20 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
SCHEMBL30251749 1.00 RXRA (0.36) RXRARXRBRXRGTLR9TLR8
SCHEMBL25215970 1.00 RXRA (0.36) RXRARXRBRXRGTLR9TLR8
SCHEMBL23884442 0.89 RXRA (0.40) RXRARXRBRXRGTLR9TLR8
SCHEMBL23905414 0.89 RXRA (0.40) RXRARXRBRXRGTLR9TLR8
SCHEMBL25483896 0.86 RXRA (0.38) RXRARXRBRXRGMAPK1ATR
SCHEMBL23906040 0.85 RXRA (0.36) RXRARXRBRXRGMAPK1ATR
SCHEMBL23905416 0.84 MAPK1 (0.37) TLR9TLR8TLR7MAPK1
SCHEMBL25219174 0.84 MAPK1 (0.37) TLR9TLR8TLR7MAPK1
SCHEMBL25219176 0.84 MAPK1 (0.37) TLR9TLR8TLR7MAPK1
SCHEMBL23884568 0.84 RXRA (0.36) RXRARXRBRXRGMAPK1ATR

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-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
CN-115715292-A 1H-pyrazolo [4,3-g ] isoquinoline and 1H-pyrazolo [4,3-g ] quinoline derivatives as alpha-1-antitrypsin modulators for the treatment of alpha-1-antitrypsin deficiency (AATD) 弗特克斯药品有限公司 2023-02-24 CN 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 RXRA 244/4885RXRB 238/4885RXRG 233/4885
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 RXRA 2216/4885RXRB 2333/4885RXRG 1748/4885

“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.