Sugi Predict

Sugi Predict / Compounds / SCHEMBL23905425

SCHEMBL23905425

SCHEMBL23905425

Cc1cc(-c2c(C3CCOCC3)nc(Oc3ccc(C(=O)O)c(F)c3F)c3cc4[nH]ncc4cc23)ccn1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 1/20 0.36
▸ TOP2B Q02880 1/20 0.36
▸ TLR9 Q9NR96 3/20 0.35
▸ TLR8 Q9NR97 3/20 0.35
▸ TLR7 Q9NYK1 3/20 0.35
▸ ROCK1 Q13464 1/20 0.33
▸ MAPK1 P28482 9/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ LRRK2 Q5S007 1/20 0.32
▸ FGFR2 P21802 1/20 0.32
▸ SYK P43405 1/20 0.32
▸ PRKAB2 O43741 1/20 0.32
▸ PRKAG1 P54619 1/20 0.32
▸ PRKAA2 P54646 1/20 0.32
▸ PRKAA1 Q13131 1/20 0.32
▸ PRKAG3 Q9UGI9 1/20 0.32
▸ PRKAG2 Q9UGJ0 1/20 0.32
▸ PRKAB1 Q9Y478 1/20 0.32

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
SCHEMBL23905417 0.93 TOP2A (0.34) TOP2ATOP2BTLR9TLR8TLR7
SCHEMBL23906148 0.89 FGFR2 (0.37) MAPK1LRRK2FGFR2PRKAB2PRKAG1
SCHEMBL23906181 0.89 PRKAB2 (0.37) MAPK1LRRK2FGFR2PRKAB2PRKAG1
SCHEMBL23905411 0.89 TOP2A (0.35) TOP2ATOP2BTLR9TLR8TLR7
SCHEMBL30251662 0.89 TLR9 (0.35) TOP2ATOP2BTLR9TLR8TLR7
SCHEMBL23884790 0.89 TLR9 (0.35) TOP2ATOP2BTLR9TLR8TLR7
SCHEMBL23905412 0.87 GCK (0.37) TLR9TLR8TLR7MAPK1IRAK4
SCHEMBL23905422 0.86 TLR9 (0.35) TLR9TLR8TLR7ROCK1MAPK1
SCHEMBL23905409 0.85 PDE10A (0.38) TLR9TLR8TLR7ROCK1MAPK1
SCHEMBL23884647 0.84 ROCK1 (0.35) TLR9TLR8TLR7ROCK1MAPK1

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 TOP2A 1242/4885TOP2B 1529/4885TLR9 4866/4885

“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.