SCHEMBL13087372

SCHEMBL13087372

N#Cc1ccc(-c2cc(NC3CCN(S(=O)(=O)C4CC4)CC3)c3cnccc3c2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 3/20 0.40
PRKCZ Q05513 3/20 0.37
SYK P43405 1/20 0.37
PIK3CD O00329 1/20 0.37
CDK2 P24941 3/20 0.36
CCNT1 O60563 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCNB1 P14635 1/20 0.36
CCND1 P24385 1/20 0.36
CCNE1 P24864 1/20 0.36
CCND3 P30281 1/20 0.36
CDK7 P50613 1/20 0.36
CDK9 P50750 1/20 0.36
CCNH P51946 1/20 0.36
MNAT1 P51948 1/20 0.36
CDK6 Q00534 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
IRAK4 Q9NWZ3 2/20 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
SCHEMBL13090060 0.91 DYRK1A (0.43) CCR6PRKCZSYKCDK2CCNT1
SCHEMBL13087550 0.90 PIK3CD (0.41) CCR6PRKCZSYKPIK3CDCDK2
SCHEMBL13087754 0.89 CDK2 (0.38) CCR6PRKCZCDK2CCNT1CDK1
SCHEMBL13087490 0.88 CCR6 (0.46) CCR6PRKCZCDK2CCNT1CDK1
SCHEMBL13087834 0.86 PIK3CD (0.40) PRKCZPIK3CDCDK2CCND1CCNE1
SCHEMBL13087496 0.85 CCNT1 (0.38) CCR6PRKCZPIK3CDCDK2CCNT1
SCHEMBL13087291 0.85 CYP17A1 (0.43) PRKCZCDK2CCND1CCNE1CDK6
SCHEMBL13087850 0.85 PRKCZ (0.38) PRKCZPIK3CDCDK2CCNT1CDK1
SCHEMBL13087664 0.85 CYP11B1 (0.42) CCR6PRKCZCDK2CCNT1CDK1
SCHEMBL13087592 0.85 CYP11B1 (0.37) CCR6PRKCZCDK2CCNT1CDK1

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 CCR6 3313/4885PRKCZ 272/4885SYK 351/4885

“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.