Sugi Predict

Sugi Predict / Compounds / SCHEMBL23905476

SCHEMBL23905476

SCHEMBL23905476

CC(C)c1nc(OCc2ccc(C(=O)O)o2)c2cc3[nH]ncc3cc2c1-c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.39
▸ RAB9A P51151 6/20 0.39
▸ POLB P06746 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPT P10636 3/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ HSP90AA1 P07900 1/20 0.35
▸ KMT2A Q03164 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MAPK1 P28482 4/20 0.34
▸ TGFBR1 P36897 1/20 0.34
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ KDM5A P29375 1/20 0.33
▸ KDM2B Q8NHM5 1/20 0.33

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
SCHEMBL30251853 0.80 MAPK1 (0.35) MAPK1TGFBR1EGFR
SCHEMBL23884498 0.80 MAPK1 (0.35) MAPK1TGFBR1EGFR
SCHEMBL23906354 0.79 CTNNB1 (0.41) NPC1RAB9AMAPK1TGFBR1
SCHEMBL23905458 0.78 PTGER4 (0.41) NPC1RAB9AMAPK1
SCHEMBL23906059 0.78 RXRA (0.40) KMT2AMEN1MAPK1TGFBR1EGFR
SCHEMBL25475610 0.78 MIF (0.36) NPC1RAB9AMAPK1
SCHEMBL25485514 0.78 MKNK1 (0.39) MAPK1TGFBR1EGFR
SCHEMBL23906100 0.77 FGFR2 (0.36) NPC1RAB9AMAPK1
SCHEMBL23906093 0.77 CTNNB1 (0.35) NPC1RAB9AMAPK1TGFBR1
SCHEMBL23906094 0.77 CTNNB1 (0.37) NPC1RAB9AMAPK1KDM5AKDM4C

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 NPC1 518/4885RAB9A 2260/4885POLB 593/4885

“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.