SCHEMBL23906188

SCHEMBL23906188

CC(C)c1nc(O)c2cc3[nH]ncc3cc2c1-c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 4/20 0.40
FGFR2 P21802 3/20 0.40
GCGR P47871 6/20 0.40
TRPA1 O75762 3/20 0.38
MAPK1 P28482 1/20 0.38
TGFBR1 P36897 1/20 0.38
FGFR3 P22607 1/20 0.38
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
MKNK1 Q9BUB5 1/20 0.37
EGFR P00533 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GRIA1 P42261 1/20 0.36

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
SCHEMBL25485514 0.85 MKNK1 (0.39) FGFR1FGFR2GCGRTRPA1MAPK1
SCHEMBL23906067 0.85 TGFBR1 (0.41) GCGRTRPA1MAPK1TGFBR1EGFR
SCHEMBL25474980 0.84 MAPK1 (0.44) MAPK1TGFBR1CTNNB1WNT3AEGFR
SCHEMBL23906112 0.83 FGFR2 (0.42) FGFR1FGFR2GCGRTRPA1MAPK1
SCHEMBL30251718 0.83 FGFR2 (0.42) FGFR1FGFR2GCGRTRPA1MAPK1
SCHEMBL23906354 0.81 CTNNB1 (0.41) MAPK1TGFBR1CTNNB1WNT3ANPC1
SCHEMBL23905458 0.80 PTGER4 (0.41) MAPK1CTNNB1WNT3ANPC1RAB9A
SCHEMBL23906098 0.80 PTGS2 (0.45)
SCHEMBL23906105 0.80 CTNNB1 (0.37) FGFR1FGFR2MAPK1TGFBR1CTNNB1
SCHEMBL23906059 0.80 RXRA (0.40) GCGRMAPK1TGFBR1CTNNB1WNT3A

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 2 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
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 FGFR1 4852/4885FGFR2 4885/4885GCGR 2189/4885

“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.