SCHEMBL2426257

SCHEMBL2426257

N#Cc1cccc(-c2cc(NC3CCN(C(=O)CCO)CC3)c3cnccc3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.43
ROCK2 O75116 2/20 0.43
GPR6 P46095 3/20 0.41
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
SYK P43405 1/20 0.38
PARP1 P09874 2/20 0.38
DGAT2 Q96PD7 1/20 0.38
TNKS O95271 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
PRKCZ Q05513 4/20 0.38
PRKD2 Q9BZL6 4/20 0.38
VCP P55072 1/20 0.37
NAMPT P43490 1/20 0.37
MLNR O43193 2/20 0.37
CYP3A4 P08684 1/20 0.37
SLC6A7 Q99884 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
SCHEMBL13087174 0.93 ROCK2 (0.44) ROCK2GPR6KDM1AMAOAMAOB
SCHEMBL13087318 0.91 CYP11B1 (0.44) ROCK2GPR6KDM1AMAOAMAOB
SCHEMBL13087709 0.91 ROCK2 (0.44) ROCK2GPR6KDM1AMAOAMAOB
SCHEMBL13087530 0.90 IRAK4 (0.45) IRAK4ROCK2GPR6KDM1AMAOA
SCHEMBL13087807 0.90 IRAK4 (0.43) IRAK4ROCK2GPR6KDM1AMAOA
SCHEMBL15172411 0.90 ROCK2 (0.40) IRAK4ROCK2GPR6KDM1AMAOA
SCHEMBL13087179 0.90 ROCK2 (0.41) ROCK2GPR6KDM1AMAOAMAOB
SCHEMBL12327356 0.89 CPT1A (0.45) ROCK2GPR6SYKDGAT2
SCHEMBL2426924 0.88 PAX8 (0.44) IRAK4ROCK2GPR6DGAT2PRKCZ
SCHEMBL2425647 0.88 ROCK2 (0.43) IRAK4ROCK2GPR6PRKCZPRKD2

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 8 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
US-8299055-B2 8-substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-10-30 US 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
US-20100261701-A1 8-Substituted isoquinoline derivative and the use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-10-14 US 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 IRAK4 14/4885ROCK2 1065/4885GPR6 2528/4885

“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.