SCHEMBL23905499

SCHEMBL23905499

CC(C)c1nc(O[C@H]2C[C@H](C(=O)O)C2)c2cc3[nH]ncc3cc2c1-c1ccc(F)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.34
FGFR2 P21802 2/20 0.33
MAP4K1 Q92918 1/20 0.33
TGFBR1 P36897 1/20 0.33
SGK1 O00141 9/20 0.33
MAOB P27338 1/20 0.32
FGFR1 P11362 1/20 0.32
DGAT1 O75907 1/20 0.32
KCNH2 Q12809 1/20 0.32
ROCK2 O75116 1/20 0.32
FABP4 P15090 1/20 0.31
GCGR P47871 1/20 0.31

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
SCHEMBL30251613 1.00 GRIA1 (0.34) GRIA1FGFR2MAP4K1TGFBR1SGK1
SCHEMBL23884765 1.00 GRIA1 (0.34) GRIA1FGFR2MAP4K1TGFBR1SGK1
SCHEMBL23884510 0.91 MAPK1 (0.34) GRIA1SGK1GCGR
SCHEMBL30251968 0.91 MAPK1 (0.34) GRIA1SGK1GCGR
SCHEMBL23905473 0.91 MAPK1 (0.34) GRIA1SGK1GCGR
SCHEMBL30251927 0.86 TLR8 (0.35) GRIA1
SCHEMBL23884772 0.86 TLR8 (0.35) GRIA1
SCHEMBL23906187 0.86 TLR8 (0.35) GRIA1
SCHEMBL23884511 0.84 GRIA1 (0.35) GRIA1
SCHEMBL23906418 0.84 GRIA1 (0.35) GRIA1

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 GRIA1 1269/4885FGFR2 4885/4885MAP4K1 1518/4885

“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.