SCHEMBL2425011

SCHEMBL2425011

N#Cc1cccc(-c2cc(NC3CCN(CC4COCCN4)CC3)c3cnccc3c2)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.44
PRKCZ Q05513 5/20 0.37
PRKD2 Q9BZL6 4/20 0.37
ROCK1 Q13464 3/20 0.36
TBK1 Q9UHD2 1/20 0.35
MTOR P42345 1/20 0.35
GPR6 P46095 1/20 0.35
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
VCP P55072 1/20 0.34
JAK1 P23458 1/20 0.34
JAK3 P52333 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34

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
SCHEMBL13087373 0.85 ALK (0.40) ROCK2PRKCZPRKD2TBK1GPR6
SCHEMBL2422828 0.84 ROCK2 (0.48) ROCK2PRKCZPRKD2ROCK1GPR6
SCHEMBL2434116 0.83 ROCK2 (0.44) ROCK2PRKCZPRKD2ROCK1CYP1A2
SCHEMBL2427707 0.82 ROCK2 (0.49) ROCK2PRKCZPRKD2ROCK1GPR6
SCHEMBL2422015 0.82 ROCK2 (0.49) ROCK2PRKCZPRKD2ROCK1GPR6
SCHEMBL2429591 0.81 ROCK2 (0.46) ROCK2ROCK1CYP1A2HSD17B10
SCHEMBL2425551 0.81 ROCK2 (0.44) ROCK2GPR6CYP1A2CLK4
SCHEMBL2425776 0.80 ROCK2 (0.56) ROCK2ROCK1VCPJAK1JAK3
SCHEMBL2427691 0.80 ROCK2 (0.48) ROCK2PRKCZPRKD2ROCK1GPR6
SCHEMBL2422864 0.79 CYP1A2 (0.52) ROCK2PRKCZPRKD2CYP1A2CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2366699-B1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2013-08-07 EP disclosed
US-8299055-B2 8-substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-10-30 US disclosed
EP-2366699-A1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2011-09-21 EP disclosed
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-10-14 US 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-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof RELA, NFKBIA, NFKB2 ROCK2 1065/4885PRKCZ 272/4885PRKD2 49/4885

“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.