SCHEMBL2422864

SCHEMBL2422864

N#Cc1cccc(-c2cc(NC3CCNCC3)c3cnccc3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.52
CLK4 Q9HAZ1 2/20 0.52
CYP2C19 P33261 1/20 0.52
HSD17B10 Q99714 1/20 0.52
PRKCZ Q05513 12/20 0.48
PRKD2 Q9BZL6 9/20 0.48
ROCK2 O75116 2/20 0.42
CYP3A4 P08684 1/20 0.41
NEK1 Q96PY6 1/20 0.40
AXL P30530 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 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
SCHEMBL13087722 0.94 PRKCZ (0.56) CYP1A2CLK4CYP2C19HSD17B10PRKCZ
SCHEMBL13087336 0.94 PRKCZ (0.56) CYP1A2CLK4CYP2C19HSD17B10PRKCZ
SCHEMBL2425114 0.91 CYP1A2 (0.44) CYP1A2CLK4CYP2C19HSD17B10PRKCZ
SCHEMBL12327397 0.88 PRKCZ (0.48) CYP1A2CLK4CYP2C19HSD17B10PRKCZ
SCHEMBL2424276 0.87 PRKCZ (0.45) CYP1A2CLK4CYP2C19HSD17B10PRKCZ
SCHEMBL15172428 0.86 PRKCZ (0.46) CYP1A2CLK4CYP2C19HSD17B10PRKCZ
SCHEMBL12327354 0.86 PRKCZ (0.62) CYP1A2CLK4HSD17B10PRKCZPRKD2
SCHEMBL2422828 0.85 ROCK2 (0.48) CYP1A2CLK4CYP2C19HSD17B10PRKCZ
SCHEMBL13441444 0.85 PRKCZ (0.50) CYP1A2CLK4PRKCZPRKD2CYP3A4
SCHEMBL13441494 0.85 PRKCZ (0.50) CYP1A2CLK4PRKCZPRKD2CYP3A4

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
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
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
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 2622/4885CLK4 1568/4885CYP2C19 4781/4885

“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.