Sugi Predict

Sugi Predict / Compounds / SCHEMBL23906166

SCHEMBL23906166

SCHEMBL23906166

O=C(O)[C@H]1C[C@H](Oc2nc(C3CCOCC3)c(-c3ccc(F)c(Cl)c3)c3cc4cn[nH]c4cc23)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SGK1 O00141 6/20 0.35
▸ FABP4 P15090 2/20 0.35
▸ FAAH O00519 1/20 0.34
▸ MAP4K1 Q92918 3/20 0.34
▸ LRRK2 Q5S007 1/20 0.34
▸ MAOB P27338 1/20 0.33
▸ PRKAB2 O43741 2/20 0.33
▸ PRKAG1 P54619 2/20 0.33
▸ PRKAA2 P54646 2/20 0.33
▸ PRKAA1 Q13131 2/20 0.33
▸ PRKAG3 Q9UGI9 2/20 0.33
▸ PRKAG2 Q9UGJ0 2/20 0.33
▸ PRKAB1 Q9Y478 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CDC7 O00311 1/20 0.32
▸ DGAT1 O75907 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ FABP3 P05413 1/20 0.31
▸ FABP5 Q01469 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
SCHEMBL23884418 1.00 SGK1 (0.35) SGK1FABP4FAAHMAP4K1LRRK2
SCHEMBL30251966 1.00 SGK1 (0.35) SGK1FABP4FAAHMAP4K1LRRK2
SCHEMBL23906072 0.94 SGK1 (0.36) SGK1FABP4FAAHMAP4K1LRRK2
SCHEMBL23884421 0.94 SGK1 (0.36) SGK1FABP4FAAHMAP4K1LRRK2
SCHEMBL23906048 0.93 LRRK2 (0.35) SGK1FABP4FAAHMAP4K1LRRK2
SCHEMBL23906044 0.91 FAAH (0.40) SGK1FABP4FAAHLRRK2PRKAB2
SCHEMBL23884444 0.91 FAAH (0.40) SGK1FABP4FAAHLRRK2PRKAB2
SCHEMBL23906415 0.90 CDC7 (0.36) SGK1FAAHLRRK2PRKAB2PRKAG1
SCHEMBL23884450 0.90 MAP4K1 (0.35) SGK1MAP4K1LRRK2PRKAB2PRKAG1
SCHEMBL23906085 0.90 MAP4K1 (0.35) SGK1MAP4K1LRRK2PRKAB2PRKAG1

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 SGK1 3735/4885FABP4 4591/4885FAAH 2760/4885

“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.