SCHEMBL2429591

SCHEMBL2429591

CN1CCOC(CN2CCC(Nc3cc(-c4cccc(C#N)c4)cc4ccncc34)CC2)C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.46
MET P08581 10/20 0.39
ROCK1 Q13464 2/20 0.39
USP2 O75604 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CASP1 P29466 2/20 0.37
CASP7 P55210 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP2C9 P11712 1/20 0.37
MAP4K1 Q92918 1/20 0.36
LRRK2 Q5S007 1/20 0.36
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL2434116 0.87 ROCK2 (0.44) ROCK2ROCK1HSD17B10CYP1A2
SCHEMBL2425299 0.85 ROCK2 (0.40) ROCK2MET
SCHEMBL2422828 0.83 ROCK2 (0.48) ROCK2ROCK1HSD17B10CYP1A2
SCHEMBL2427707 0.83 ROCK2 (0.49) ROCK2ROCK1
SCHEMBL2422015 0.83 ROCK2 (0.49) ROCK2METROCK1
SCHEMBL13087277 0.82 ROCK2 (0.46) ROCK2ROCK1
SCHEMBL2425868 0.82 ROCK2 (0.45) ROCK2ROCK1HSD17B10MAP4K1LRRK2
SCHEMBL2425011 0.81 ROCK2 (0.44) ROCK2ROCK1HSD17B10CYP1A2
SCHEMBL13087712 0.81 ROCK2 (0.45) ROCK2ROCK1
SCHEMBL2425776 0.80 ROCK2 (0.56) ROCK2ROCK1

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 1065/4885MET 4219/4885ROCK1 745/4885

“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.