SCHEMBL2425868

SCHEMBL2425868

CN1CC(N2CCC(Nc3cc(-c4cccc(C#N)c4)cc4ccncc34)CC2)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.45
PRKCZ Q05513 6/20 0.39
PRKD2 Q9BZL6 5/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MAP4K1 Q92918 1/20 0.38
GPR6 P46095 2/20 0.38
ROCK1 Q13464 2/20 0.38
IRAK4 Q9NWZ3 2/20 0.36
LRRK2 Q5S007 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
CYP3A4 P08684 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
SCHEMBL2425114 0.89 CYP1A2 (0.44) ROCK2PRKCZPRKD2HRH3GPR6
SCHEMBL2424276 0.89 PRKCZ (0.45) ROCK2PRKCZPRKD2GPR6CYP1A2
SCHEMBL13087402 0.86 ROCK2 (0.42) ROCK2PRKCZPRKD2HRH3MAP4K1
SCHEMBL2430099 0.85 IRAK4 (0.45) ROCK2IRAK4CLK4
SCHEMBL3628367 0.85 ROCK2 (0.47) ROCK2PRKCZPRKD2MAP4K1GPR6
SCHEMBL2427707 0.83 ROCK2 (0.49) ROCK2PRKCZPRKD2GPR6ROCK1
SCHEMBL2425647 0.83 ROCK2 (0.43) ROCK2PRKCZPRKD2GPR6IRAK4
SCHEMBL2424533 0.83 ROCK2 (0.43) ROCK2PRKCZPRKD2GPR6IRAK4
SCHEMBL2422015 0.83 ROCK2 (0.49) ROCK2PRKCZPRKD2GPR6ROCK1
SCHEMBL13087712 0.82 ROCK2 (0.45) ROCK2PRKCZPRKD2GPR6ROCK1

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.