Sugi Predict

Sugi Predict / Compounds / SCHEMBL23906177

SCHEMBL23906177

SCHEMBL23906177

COc1c(C(=O)O)ccc(Oc2nc(C3CCOCC3)c(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKAB2 O43741 2/20 0.35
▸ PRKAG1 P54619 2/20 0.35
▸ PRKAA2 P54646 2/20 0.35
▸ PRKAA1 Q13131 2/20 0.35
▸ PRKAG3 Q9UGI9 2/20 0.35
▸ PRKAG2 Q9UGJ0 2/20 0.35
▸ PRKAB1 Q9Y478 2/20 0.35
▸ CDC7 O00311 1/20 0.33
▸ PIK3CA P42336 4/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ MAP4K1 Q92918 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ PIK3R1 P27986 1/20 0.31
▸ PIK3CB P42338 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ PIK3CG P48736 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
SCHEMBL30251601 0.93 PRKAB2 (0.34) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL23884505 0.93 PRKAB2 (0.34) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL23906181 0.93 PRKAB2 (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL23905417 0.90 TOP2A (0.34) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL23906332 0.88 GCK (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL23906184 0.88 PRKAB2 (0.36) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL23906087 0.87 LRRK2 (0.35) CDC7MKNK1MAP4K1ACACBACACA
SCHEMBL23906148 0.85 FGFR2 (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL23906337 0.85 PRKAB2 (0.37) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL23906412 0.85 PRKAB2 (0.35) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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 PRKAB2 1493/4885PRKAG1 549/4885PRKAA2 1912/4885

“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.