SCHEMBL23905458

SCHEMBL23905458

CC(C)c1nc(Oc2ccc(C(=O)O)cc2)c2cc3[nH]ncc3cc2c1-c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 7/20 0.41
PTGER2 P43116 2/20 0.41
CHEK2 O96017 1/20 0.41
DRD1 P21728 1/20 0.39
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
SCN9A Q15858 3/20 0.38
RXRA P19793 1/20 0.37
NR4A2 P43354 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPK1 P28482 1/20 0.36
MAP2K4 P45985 1/20 0.36
MAPK6 Q16659 1/20 0.36
HAO1 Q9UJM8 2/20 0.36
ROCK1 Q13464 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
SCHEMBL23906094 0.90 CTNNB1 (0.37) CHEK2CTNNB1WNT3ANR4A2NPC1
SCHEMBL25475610 0.89 MIF (0.36) PTGER4PTGER2DRD1CTNNB1WNT3A
SCHEMBL23905477 0.88 TTR (0.36) CHEK2CTNNB1WNT3ANPC1RAB9A
SCHEMBL25474980 0.86 MAPK1 (0.44) CTNNB1WNT3ANR4A2NPC1RAB9A
SCHEMBL23906099 0.86 PIK3CA (0.39) DRD1SCN9AROCK1
SCHEMBL23906122 0.85 PDE10A (0.39) PTGER4DRD1RXRANR4A2MAPK1
SCHEMBL30252022 0.85 PDE10A (0.39) PTGER4DRD1RXRANR4A2MAPK1
SCHEMBL23906093 0.84 CTNNB1 (0.35) CTNNB1WNT3ANPC1RAB9AMAPK1
SCHEMBL23906100 0.84 FGFR2 (0.36) DRD1CTNNB1WNT3ANPC1RAB9A
SCHEMBL23884399 0.83 RXRA (0.43) PTGER4PTGER2CHEK2CTNNB1WNT3A

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 PTGER4 2162/4885PTGER2 2254/4885CHEK2 4299/4885

“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.