SCHEMBL13087336

SCHEMBL13087336

N#Cc1cccc(-c2cc(N[C@H]3CCNC3)c3cnccc3c2)c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 18/20 0.56
PRKD2 Q9BZL6 10/20 0.56
AXL P30530 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46

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 1.00 PRKCZ (0.56) PRKCZPRKD2AXLCYP1A2CYP2C19
SCHEMBL2422864 0.94 CYP1A2 (0.52) PRKCZPRKD2AXLCYP1A2CYP2C19
SCHEMBL2424276 0.85 PRKCZ (0.45) PRKCZPRKD2CYP1A2CYP2C19HSD17B10
SCHEMBL2425114 0.85 CYP1A2 (0.44) PRKCZPRKD2CYP1A2CYP2C19HSD17B10
SCHEMBL2422828 0.84 ROCK2 (0.48) PRKCZPRKD2CYP1A2CYP2C19HSD17B10
SCHEMBL12327397 0.82 PRKCZ (0.48) PRKCZPRKD2AXLCYP1A2CYP2C19
SCHEMBL15172413 0.82 PRKCZ (0.43) PRKCZPRKD2CYP1A2CYP2C19HSD17B10
SCHEMBL2434116 0.81 ROCK2 (0.44) PRKCZPRKD2CYP1A2CYP2C19HSD17B10
SCHEMBL3628367 0.81 ROCK2 (0.47) PRKCZPRKD2CYP1A2CYP2C19HSD17B10
SCHEMBL15172428 0.80 PRKCZ (0.46) PRKCZPRKD2CYP1A2CYP2C19HSD17B10

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
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-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 PRKCZ 272/4885PRKD2 49/4885AXL 4296/4885

“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.