SCHEMBL23906112

SCHEMBL23906112

CC(C)c1ncc2cc3[nH]ncc3cc2c1-c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FGFR2 P21802 4/20 0.42
FGFR1 P11362 3/20 0.42
MAPK1 P28482 1/20 0.42
MKNK1 Q9BUB5 3/20 0.40
EGFR P00533 1/20 0.40
TRPA1 O75762 3/20 0.40
TGFBR1 P36897 2/20 0.39
GRIA1 P42261 1/20 0.39
CDC7 O00311 2/20 0.38
RPS6KB1 P23443 1/20 0.37
GCGR P47871 2/20 0.37

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
SCHEMBL30251718 1.00 FGFR2 (0.42) FGFR2FGFR1MAPK1MKNK1EGFR
SCHEMBL23906188 0.83 FGFR1 (0.40) FGFR2FGFR1MAPK1MKNK1EGFR
SCHEMBL25485514 0.80 MKNK1 (0.39) FGFR2FGFR1MAPK1MKNK1EGFR
SCHEMBL23884448 0.79 TRPA1 (0.44) FGFR2FGFR1MAPK1MKNK1EGFR
SCHEMBL30251617 0.79 TRPA1 (0.44) FGFR2FGFR1MAPK1MKNK1EGFR
SCHEMBL23906067 0.78 TGFBR1 (0.41) MAPK1EGFRTRPA1TGFBR1GRIA1
SCHEMBL23884782 0.76 EGFR (0.40) FGFR2FGFR1MAPK1MKNK1EGFR
SCHEMBL25474980 0.75 MAPK1 (0.44) MAPK1EGFRTGFBR1GRIA1RPS6KB1
SCHEMBL23906098 0.75 PTGS2 (0.45)
SCHEMBL23884538 0.74 GRIA1 (0.37) MAPK1MKNK1EGFRTRPA1TGFBR1

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 FGFR2 4885/4885FGFR1 4852/4885MAPK1 1660/4885

“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.