SCHEMBL23905419

SCHEMBL23905419

COc1cc(O)c(F)cc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.46
PARP10 Q53GL7 2/20 0.45
PARP15 Q460N3 1/20 0.45
LMNA P02545 3/20 0.43
HMGCR P04035 1/20 0.42
PARP14 Q460N5 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
PTGS2 P35354 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
MKNK2 Q9HBH9 2/20 0.40
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
IRAK4 Q9NWZ3 2/20 0.39

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
SCHEMBL6736165 0.87 PARP10 (0.48) HTTPARP10PARP15LMNAPARP14
SCHEMBL7349901 0.84 KDM4E (0.51) HTTLMNAHMGCRALDH1A1KDM4E
SCHEMBL7347988 0.82 GAA (0.50) HTTLMNAHMGCRALDH1A1KDM4E
SCHEMBL2664109 0.81 CTSD (0.50) HTTLMNAHMGCRALDH1A1KDM4E
SCHEMBL15490212 0.79 PARP10 (0.45) HTTPARP10PARP15LMNAPARP14
SCHEMBL15492274 0.79 PARP10 (0.45) HTTPARP10PARP15LMNAPARP14
SCHEMBL12515332 0.78 CYP3A4 (0.52) HTTPARP10PARP15ALDH1A1KDM4E
SCHEMBL17136999 0.78 IRAK4 (0.51) HTTPARP10PARP15LMNAPARP14
SCHEMBL30497420 0.78 IRAK4 (0.51) HTTPARP10PARP15LMNAPARP14
SCHEMBL27433126 0.77 HTT (0.46) HTTPARP10PARP15LMNAPARP14

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 HTT 890/4885PARP10 1682/4885PARP15 1598/4885

“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.