Sugi Predict

Sugi Predict / Compounds / SCHEMBL23906194

SCHEMBL23906194

SCHEMBL23906194

CC(C)c1c(N2CCC(C(=O)O)C2)nc2cc3[nH]ncc3cc2c1-c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.40
▸ NAMPT P43490 3/20 0.36
▸ SCN9A Q15858 2/20 0.36
▸ GRIA1 P42261 1/20 0.36
▸ SSTR5 P35346 2/20 0.35
▸ DGAT1 O75907 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ AURKA O14965 1/20 0.34
▸ AURKB Q96GD4 1/20 0.34
▸ CHRM5 P08912 2/20 0.33
▸ GRIN2B Q13224 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CASP1 P29466 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
SCHEMBL30251682 1.00 NOTUM (0.40) NOTUMNAMPTSCN9AGRIA1SSTR5
SCHEMBL23884724 1.00 NOTUM (0.40) NOTUMNAMPTSCN9AGRIA1SSTR5
SCHEMBL23884643 1.00 NOTUM (0.40) NOTUMNAMPTSCN9AGRIA1SSTR5
SCHEMBL30251699 1.00 NOTUM (0.40) NOTUMNAMPTSCN9AGRIA1SSTR5
SCHEMBL30252012 0.95 SCN9A (0.39) NOTUMNAMPTSCN9AGRIA1DGAT1
SCHEMBL23884427 0.95 SCN9A (0.39) NOTUMNAMPTSCN9AGRIA1DGAT1
SCHEMBL30251635 0.93 NAMPT (0.36) NOTUMNAMPTGRIA1SSTR5
SCHEMBL23884659 0.93 NAMPT (0.36) NOTUMNAMPTGRIA1SSTR5
SCHEMBL23884795 0.86 NAMPT (0.37) NAMPTSCN9AGRIA1
SCHEMBL28957886 0.86 GRIA1 (0.33) NAMPTGRIA1CLK4GRIN2B

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 NOTUM 4586/4885NAMPT 488/4885SCN9A 880/4885

“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.