SCHEMBL2425776

SCHEMBL2425776

N#Cc1cccc(-c2cc(NC3CCN(Cc4cccnc4)CC3)c3cnccc3c2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 10/20 0.56
ROCK1 Q13464 5/20 0.48
LMNA P02545 1/20 0.45
GBA1 P04062 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
JAK3 P52333 3/20 0.43
JAK1 P23458 2/20 0.43
JAK2 O60674 3/20 0.43
CCR2 P41597 4/20 0.43
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ACHE P22303 1/20 0.42
VCP P55072 1/20 0.42

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
SCHEMBL13089959 0.86 ROCK2 (0.45) ROCK2MEN1KMT2AVCP
SCHEMBL2422015 0.86 ROCK2 (0.49) ROCK2ROCK1JAK3JAK1
SCHEMBL2427707 0.86 ROCK2 (0.49) ROCK2ROCK1JAK3JAK1CCR2
SCHEMBL2422828 0.84 ROCK2 (0.48) ROCK2ROCK1JAK3JAK1
SCHEMBL2427691 0.84 ROCK2 (0.48) ROCK2ROCK1JAK3JAK2
SCHEMBL13617840 0.83 ROCK2 (0.52) ROCK2ROCK1LMNAGBA1POLB
SCHEMBL3628367 0.82 ROCK2 (0.47) ROCK2ROCK1
SCHEMBL13087712 0.82 ROCK2 (0.45) ROCK2ROCK1JAK1JAK2
SCHEMBL13087296 0.82 ROCK2 (0.46) ROCK2ROCK1MEN1KMT2A
SCHEMBL2429898 0.82 ROCK2 (0.46) ROCK2ROCK1JAK3JAK2

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 1065/4885ROCK1 745/4885LMNA 1852/4885

“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.