SCHEMBL25488576

SCHEMBL25488576

CC(C)c1c(Oc2ccc(C(O)O)c(F)c2)nc2cc3[nH]ncc3cc2c1-c1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 4/20 0.35
FGFR2 P21802 4/20 0.33
MKNK1 Q9BUB5 3/20 0.33
FGFR1 P11362 3/20 0.33
TGFBR1 P36897 1/20 0.32
TRPA1 O75762 2/20 0.31
MAPK1 P28482 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
SCHEMBL23905574 0.91 MKNK1 (0.37) DRD1FGFR2MKNK1FGFR1TGFBR1
SCHEMBL23906136 0.86 MIF (0.36) DRD1MAPK1
SCHEMBL23884399 0.83 RXRA (0.43) MAPK1
SCHEMBL30252031 0.83 RXRA (0.43) MAPK1
SCHEMBL25475040 0.81 NPC1 (0.39) DRD1MKNK1
SCHEMBL23905576 0.79 CHEK2 (0.37) FGFR2MKNK1MAPK1
SCHEMBL23884493 0.79 STK17A (0.43) FGFR2MKNK1FGFR1MAPK1
SCHEMBL30251987 0.79 STK17A (0.43) FGFR2MKNK1FGFR1MAPK1
SCHEMBL23884547 0.78 MKNK1 (0.37) FGFR2MKNK1FGFR1TGFBR1TRPA1
SCHEMBL23905579 0.77 FGFR2 (0.35) FGFR2MKNK1FGFR1MAPK1

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 DRD1 577/4885FGFR2 4885/4885MKNK1 1481/4885

“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.