SCHEMBL2422828

SCHEMBL2422828

N#Cc1cccc(-c2cc(NC3CCN(CC4CNC4)CC3)c3cnccc3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.48
PRKCZ Q05513 9/20 0.44
PRKD2 Q9BZL6 7/20 0.44
ROCK1 Q13464 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
MCHR1 Q99705 2/20 0.38
GPR6 P46095 1/20 0.37
JAK1 P23458 1/20 0.37
JAK3 P52333 1/20 0.37

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
SCHEMBL2424276 0.88 PRKCZ (0.45) ROCK2PRKCZPRKD2CYP1A2CYP2C19
SCHEMBL2434116 0.87 ROCK2 (0.44) ROCK2PRKCZPRKD2ROCK1CYP1A2
SCHEMBL2422015 0.86 ROCK2 (0.49) ROCK2PRKCZPRKD2ROCK1GPR6
SCHEMBL2427707 0.86 ROCK2 (0.49) ROCK2PRKCZPRKD2ROCK1GPR6
SCHEMBL13087277 0.85 ROCK2 (0.46) ROCK2ROCK1MCHR1GPR6JAK1
SCHEMBL2422864 0.85 CYP1A2 (0.52) ROCK2PRKCZPRKD2CYP1A2CYP2C19
SCHEMBL15172413 0.85 PRKCZ (0.43) ROCK2PRKCZPRKD2CYP1A2CYP2C19
SCHEMBL2425776 0.84 ROCK2 (0.56) ROCK2ROCK1JAK1JAK3
SCHEMBL2427691 0.84 ROCK2 (0.48) ROCK2PRKCZPRKD2ROCK1MCHR1
SCHEMBL2425114 0.84 CYP1A2 (0.44) 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.