SCHEMBL23906350

SCHEMBL23906350

COc1cc(-c2nc(C(C)C)c(-c3ccc(F)cc3)c3cc4cn[nH]c4cc23)c(F)cc1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 5/20 0.37
ROCK2 O75116 5/20 0.37
FYN P06241 1/20 0.36
SRC P12931 1/20 0.36
TEC P42680 1/20 0.36
BTK Q06187 1/20 0.36
ITK Q08881 1/20 0.36
MAPK8 P45983 1/20 0.35
PIK3CG P48736 1/20 0.35
GSK3B P49841 1/20 0.35
CAMKK2 Q96RR4 1/20 0.35
MKNK1 Q9BUB5 2/20 0.35
AXL P30530 1/20 0.35
TLR8 Q9NR97 1/20 0.34
MIF P14174 1/20 0.34
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 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
SCHEMBL23906351 0.91 CTNNB1 (0.36) ROCK1ROCK2NPC1RAB9ADHODH
SCHEMBL23906101 0.89 ROCK1 (0.40) ROCK1ROCK2FYNSRCTEC
SCHEMBL23906352 0.88 FABP3 (0.36) ROCK1ROCK2GSK3BPRKAB2PRKAG1
SCHEMBL23906102 0.86 ROCK2 (0.40) ROCK1ROCK2FYNSRCTEC
SCHEMBL23906060 0.84 CTNNB1 (0.38) AXLNPC1RAB9AMAPK1
SCHEMBL23906105 0.84 CTNNB1 (0.37) ROCK1ROCK2BTKMAPK8PIK3CG
SCHEMBL23906093 0.81 CTNNB1 (0.35) ROCK1ROCK2MKNK1MIFNPC1
SCHEMBL25474980 0.81 MAPK1 (0.44) ROCK1BTKNPC1RAB9AMAPK1
SCHEMBL23905477 0.78 TTR (0.36) ROCK1ROCK2MKNK1NPC1RAB9A
SCHEMBL25485514 0.76 MKNK1 (0.39) ROCK1PIK3CGMKNK1AXLTLR8

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 ROCK1 1434/4885ROCK2 3138/4885FYN 4778/4885

“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.