SCHEMBL23905414

SCHEMBL23905414

Cc1cc(-c2c(C3CCOCC3)nc(O[C@H]3C[C@H](C(=O)O)C3)c3cc4c(cnn4C4CCCCO4)cc23)ccn1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
TLR9 Q9NR96 2/20 0.34
TLR8 Q9NR97 2/20 0.34
TLR7 Q9NYK1 2/20 0.34
ATR Q13535 7/20 0.33
MAPK1 P28482 3/20 0.33
LRRK2 Q5S007 1/20 0.32
PDE10A Q9Y233 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.31

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
SCHEMBL23884442 1.00 RXRA (0.40) RXRARXRBRXRGTLR9TLR8
SCHEMBL25483896 0.91 RXRA (0.38) RXRARXRBRXRGATRMAPK1
SCHEMBL23906040 0.90 RXRA (0.36) RXRARXRBRXRGATRMAPK1
SCHEMBL25215970 0.89 RXRA (0.36) RXRARXRBRXRGTLR9TLR8
SCHEMBL30251749 0.89 RXRA (0.36) RXRARXRBRXRGTLR9TLR8
SCHEMBL25215968 0.89 RXRA (0.36) RXRARXRBRXRGTLR9TLR8
SCHEMBL30251656 0.89 RXRA (0.36) RXRARXRBRXRGATRMAPK1
SCHEMBL23884568 0.89 RXRA (0.36) RXRARXRBRXRGATRMAPK1
SCHEMBL23884548 0.88 RXRA (0.38) RXRARXRBRXRGTLR9TLR8
SCHEMBL23884467 0.87 RXRA (0.41) RXRARXRBRXRGATRPDE10A

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 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.