SCHEMBL23906139

SCHEMBL23906139

COc1cc(-c2nc3c(C)c4[nH]ncc4cc3c(-c3ccc(F)cc3)c2C(C)C)ccc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 7/20 0.38
ROCK1 Q13464 6/20 0.38
PIK3CG P48736 2/20 0.37
MAPK8 P45983 2/20 0.37
GSK3B P49841 2/20 0.37
CAMKK2 Q96RR4 2/20 0.37
NEK2 P51955 3/20 0.37
ADORA2A P29274 1/20 0.34
DHODH Q02127 3/20 0.33
CD274 Q9NZQ7 1/20 0.33
GPR35 Q9HC97 1/20 0.32

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
SCHEMBL23884500 0.90 DHODH (0.35) PIK3CGMAPK8GSK3BCAMKK2ADORA2A
SCHEMBL30251725 0.90 DHODH (0.35) PIK3CGMAPK8GSK3BCAMKK2ADORA2A
SCHEMBL23905592 0.85 ROCK2 (0.38) ROCK2ROCK1
SCHEMBL23905597 0.85 MAPK1 (0.40) ADORA2ADHODH
SCHEMBL23906141 0.85 DHODH (0.36) ADORA2ADHODH
SCHEMBL30251707 0.84 MAP2K4 (0.42) ROCK2ROCK1ADORA2ADHODH
SCHEMBL23884715 0.84 MAP2K4 (0.42) ROCK2ROCK1ADORA2ADHODH
SCHEMBL23906231 0.84 NEK2 (0.37) ROCK2ROCK1NEK2ADORA2AGPR35
SCHEMBL23906138 0.83 DHODH (0.34) ROCK2ROCK1ADORA2ADHODH
SCHEMBL23884487 0.83 ADORA2A (0.31) ADORA2ADHODH

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 ROCK2 3138/4885ROCK1 1434/4885PIK3CG 2674/4885

“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.