SCHEMBL25486136

SCHEMBL25486136

CC(C)c1nc(Oc2ccc([S+]=O)cc2F)c2cc3[nH]ncc3cc2c1-c1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FGFR2 P21802 3/20 0.35
MKNK1 Q9BUB5 3/20 0.34
MAPK14 Q16539 2/20 0.32
DRD1 P21728 2/20 0.32
MET P08581 1/20 0.32
GRIA1 P42261 1/20 0.32
MAPK1 P28482 1/20 0.31
TGFBR1 P36897 1/20 0.31
FGFR1 P11362 2/20 0.31
TRPA1 O75762 1/20 0.30
EGFR P00533 1/20 0.30
FLT3 P36888 1/20 0.30
CTNNB1 P35222 1/20 0.30
WNT3A P56704 1/20 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
SCHEMBL23906117 0.86 BRD4 (0.41) FGFR2MKNK1MAPK14
SCHEMBL23906094 0.86 CTNNB1 (0.37) FGFR2MKNK1MAPK14MAPK1CTNNB1
SCHEMBL23906093 0.82 CTNNB1 (0.35) FGFR2MKNK1GRIA1MAPK1TGFBR1
SCHEMBL25485514 0.82 MKNK1 (0.39) FGFR2MKNK1GRIA1MAPK1TGFBR1
SCHEMBL23906100 0.81 FGFR2 (0.36) FGFR2MKNK1DRD1MAPK1FGFR1
SCHEMBL23905477 0.79 TTR (0.36) MKNK1MAPK1CTNNB1WNT3A
SCHEMBL23905458 0.79 PTGER4 (0.41) DRD1MAPK1CTNNB1WNT3A
SCHEMBL23906099 0.79 PIK3CA (0.39) DRD1
SCHEMBL25475610 0.78 MIF (0.36) DRD1MAPK1CTNNB1WNT3A
SCHEMBL23906188 0.76 FGFR1 (0.40) FGFR2MKNK1GRIA1MAPK1TGFBR1

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 1 patent. 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

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 FGFR2 4885/4885MKNK1 1481/4885MAPK14 3904/4885

“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.