SCHEMBL13087668

SCHEMBL13087668

CNc1ccc(-c2cc(NC3CCN(S(=O)(=O)C4CC4)CC3)c3cnccc3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 8/20 0.42
PRKD2 Q9BZL6 7/20 0.42
NAMPT P43490 1/20 0.38
CNR1 P21554 1/20 0.37
DYRK1A Q13627 1/20 0.37
CYP17A1 P05093 1/20 0.36
CYP21A2 P08686 1/20 0.36
JAK1 P23458 1/20 0.36
IKBKB O14920 1/20 0.36
CCND1 P24385 2/20 0.35
CCNE1 P24864 2/20 0.35
CDK2 P24941 2/20 0.35
CDK6 Q00534 2/20 0.35
ROCK2 O75116 2/20 0.35
PIK3CD O00329 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL13087583 0.92 DYRK1A (0.44) PRKCZPRKD2CNR1DYRK1AIKBKB
SCHEMBL13087721 0.91 IKBKB (0.43) PRKCZPRKD2NAMPTCNR1JAK1
SCHEMBL13087291 0.91 CYP17A1 (0.43) PRKCZPRKD2NAMPTCNR1DYRK1A
SCHEMBL13087374 0.90 ROCK2 (0.39) PRKCZPRKD2CNR1DYRK1AIKBKB
SCHEMBL13087679 0.89 CYP17A1 (0.43) PRKCZPRKD2CNR1CYP17A1CYP21A2
SCHEMBL13089995 0.89 PRKCZ (0.48) PRKCZPRKD2CNR1CYP17A1CYP21A2
SCHEMBL13087859 0.88 CNR1 (0.38) PRKCZPRKD2NAMPTCNR1DYRK1A
SCHEMBL13087868 0.88 PRKCZ (0.42) PRKCZPRKD2NAMPTCNR1CCND1
SCHEMBL13087834 0.87 PIK3CD (0.40) PRKCZPRKD2CNR1DYRK1AJAK1
SCHEMBL13087490 0.87 CCR6 (0.46) PRKCZPRKD2CCND1CCNE1CDK2

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 4 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

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 49/4885NAMPT 2852/4885

“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.