SCHEMBL13087586

SCHEMBL13087586

CS(=O)(=O)N1CCC(Nc2cc(-c3ccnc(C#N)c3)cc3ccncc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.43
IKBKB O14920 3/20 0.41
IDO1 P14902 2/20 0.40
CDK2 P24941 6/20 0.39
CCNA2 P20248 2/20 0.39
CCNT1 O60563 4/20 0.37
CDK4 P11802 4/20 0.37
CCND1 P24385 4/20 0.37
CCNE1 P24864 4/20 0.37
CDK9 P50750 4/20 0.37
CDK6 Q00534 4/20 0.37
CCR6 P51684 4/20 0.37
CDK1 P06493 2/20 0.36
CCNB1 P14635 2/20 0.36
CCND3 P30281 2/20 0.36
CDK7 P50613 2/20 0.36
CCNH P51946 2/20 0.36
MNAT1 P51948 2/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36

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
SCHEMBL13087584 0.92 IKBKB (0.40) DYRK1AIKBKBCDK2CCNA2CCND1
SCHEMBL13087754 0.91 CDK2 (0.38) DYRK1ACDK2CCNA2CCNT1CDK4
SCHEMBL13090060 0.89 DYRK1A (0.43) DYRK1AIKBKBIDO1CDK2CCNA2
SCHEMBL13087700 0.87 DYRK1A (0.43) DYRK1AIKBKBIDO1CDK2CCNT1
SCHEMBL13087368 0.87 DYRK1A (0.47) DYRK1AIKBKBIDO1CDK2CCNT1
SCHEMBL2429119 0.86 IKBKB (0.45) DYRK1AIKBKBIDO1CDK2CCNT1
SCHEMBL13087580 0.86 DYRK1A (0.43) DYRK1AIKBKBIDO1CDK2CCNT1
SCHEMBL13087640 0.86 CCR6 (0.46) DYRK1AIKBKBIDO1CDK2CCNA2
SCHEMBL2424533 0.86 ROCK2 (0.43) DYRK1AIDO1CDK2CCNA2CCNT1
SCHEMBL13087629 0.85 DYRK1A (0.41) DYRK1AIKBKBIDO1CDK2CCNA2

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 DYRK1A 2485/4885IKBKB 7/4885IDO1 514/4885

“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.