SCHEMBL2425114

SCHEMBL2425114

N#Cc1cccc(-c2cc(NC3CCN(C4CCNCC4)CC3)c3cnccc3c2)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
ROCK2 O75116 2/20 0.43
PRKCZ Q05513 11/20 0.43
PRKD2 Q9BZL6 9/20 0.43
GPR6 P46095 2/20 0.38
PRKD1 Q15139 1/20 0.37
PLAT P00750 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36

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 0.93 PRKCZ (0.45) CYP1A2CYP2C19HSD17B10CLK4ROCK2
SCHEMBL2422864 0.91 CYP1A2 (0.52) CYP1A2CYP2C19HSD17B10CLK4ROCK2
SCHEMBL2425868 0.89 ROCK2 (0.45) CYP1A2CYP2C19HSD17B10CLK4ROCK2
SCHEMBL13087722 0.85 PRKCZ (0.56) CYP1A2CYP2C19HSD17B10CLK4PRKCZ
SCHEMBL13087336 0.85 PRKCZ (0.56) CYP1A2CYP2C19HSD17B10CLK4PRKCZ
SCHEMBL2430796 0.84 IRAK4 (0.48) CLK4IRAK4
SCHEMBL2422828 0.84 ROCK2 (0.48) CYP1A2CYP2C19HSD17B10CLK4ROCK2
SCHEMBL3628367 0.84 ROCK2 (0.47) CYP1A2CYP2C19HSD17B10CLK4ROCK2
SCHEMBL15172413 0.83 PRKCZ (0.43) CYP1A2CYP2C19HSD17B10CLK4ROCK2
SCHEMBL2430099 0.83 IRAK4 (0.45) CLK4ROCK2IRAK4

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 5 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
WO-2010038465-A1 8-SUBSTITUTED ISOQUINOLINE DERIVATIVE AND USE THEREOF 旭化成ファーマ株式会社 (JP) 2010-04-08 WO 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 CYP1A2 2622/4885CYP2C19 4781/4885HSD17B10 2599/4885

“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.