SCHEMBL2425647

SCHEMBL2425647

CC(=O)N1CCC(Nc2cc(-c3cccc(C#N)c3)cc3ccncc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.43
IKBKB O14920 2/20 0.42
CHUK O15111 1/20 0.42
GPR6 P46095 1/20 0.41
DYRK1A Q13627 1/20 0.41
IRAK4 Q9NWZ3 3/20 0.41
IRAK1 P51617 1/20 0.41
MAP3K7 O43318 1/20 0.41
TAB1 Q15750 1/20 0.41
NSD2 O96028 2/20 0.40
EHMT2 Q96KQ7 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
PRKCZ Q05513 2/20 0.40
PRKD2 Q9BZL6 2/20 0.40
MCHR1 Q99705 1/20 0.40
CREBBP Q92793 1/20 0.40
CYP1A2 P05177 1/20 0.39

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
SCHEMBL13087308 0.96 GPR6 (0.42) ROCK2IKBKBCHUKGPR6DYRK1A
SCHEMBL13087303 0.95 ROCK2 (0.46) ROCK2IKBKBCHUKGPR6IRAK4
SCHEMBL13087240 0.95 ROCK2 (0.46) ROCK2IKBKBCHUKGPR6IRAK4
SCHEMBL2426924 0.91 PAX8 (0.44) ROCK2GPR6IRAK4PRKCZPRKD2
SCHEMBL2428040 0.91 ROCK2 (0.43) ROCK2GPR6DYRK1AJAK2JAK1
SCHEMBL13087160 0.91 ROCK2 (0.41) ROCK2GPR6PRKCZPRKD2CREBBP
SCHEMBL13087318 0.91 CYP11B1 (0.44) ROCK2GPR6PRKCZPRKD2MCHR1
SCHEMBL13089958 0.90 SLC6A7 (0.48) ROCK2GPR6PRKCZPRKD2SLC6A7
SCHEMBL13087277 0.90 ROCK2 (0.46) ROCK2GPR6NSD2EHMT2JAK2
SCHEMBL13087519 0.90 SYK (0.47) ROCK2GPR6IRAK4MAP3K7SLC6A7

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 9 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
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 ROCK2 1065/4885IKBKB 7/4885CHUK 17/4885

“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.