Sugi Predict

Sugi Predict / Compounds / SCHEMBL23906354

SCHEMBL23906354

SCHEMBL23906354

CC(C)c1nc(Cc2ccc(C(=O)O)cc2)c2cc3[nH]ncc3cc2c1-c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 1/20 0.41
▸ WNT3A P56704 1/20 0.41
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ MAP2K4 P45985 1/20 0.37
▸ MAPK6 Q16659 1/20 0.37
▸ CDK2 P24941 2/20 0.36
▸ AKT1 P31749 2/20 0.36
▸ GRIN2B Q13224 1/20 0.35
▸ TGFBR1 P36897 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ CDC7 O00311 2/20 0.35
▸ ROCK2 O75116 2/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ PLK4 O00444 1/20 0.35
▸ AURKA O14965 1/20 0.35
▸ RPS6KA5 O75582 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ PRKCG P05129 1/20 0.35

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
SCHEMBL25474980 0.87 MAPK1 (0.44) CTNNB1WNT3ANPC1RAB9AMAPK1
SCHEMBL23905458 0.83 PTGER4 (0.41) CTNNB1WNT3ANPC1RAB9AMAPK1
SCHEMBL23906188 0.81 FGFR1 (0.40) CTNNB1WNT3ANPC1RAB9AMAPK1
SCHEMBL23906060 0.81 CTNNB1 (0.38) CTNNB1WNT3ANPC1RAB9AMAPK1
SCHEMBL23906059 0.81 RXRA (0.40) CTNNB1WNT3AMAPK1CDK2AKT1
SCHEMBL23906094 0.80 CTNNB1 (0.37) CTNNB1WNT3ANPC1RAB9AMAPK1
SCHEMBL31512830 0.79 CTNNB1 (0.35) CTNNB1WNT3ANPC1RAB9AMAPK1
SCHEMBL23906105 0.79 CTNNB1 (0.37) CTNNB1WNT3ANPC1RAB9AMAPK1
SCHEMBL23905476 0.79 NPC1 (0.39) NPC1RAB9AMAPK1TGFBR1
SCHEMBL23906102 0.78 ROCK2 (0.40) CTNNB1WNT3ANPC1RAB9AMAOB

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 CTNNB1 1365/4885WNT3A 2853/4885NPC1 518/4885

“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.