SCHEMBL13087397

SCHEMBL13087397

CS(=O)(=O)N1CC(Nc2cc(-c3ccc(F)c(C#N)c3)cc3ccncc23)C1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.38
PIK3CD O00329 3/20 0.33
PDE10A Q9Y233 1/20 0.33
IRAK4 Q9NWZ3 2/20 0.33
PRKCZ Q05513 4/20 0.33
PIK3CA P42336 2/20 0.33
PIK3CB P42338 2/20 0.33
PIK3CG P48736 2/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
JAK2 O60674 2/20 0.33
CYP3A4 P08684 1/20 0.33
BACE1 P56817 1/20 0.33
JAK3 P52333 1/20 0.33
PRKD2 Q9BZL6 3/20 0.33
SGK1 O00141 1/20 0.33
TBK1 Q9UHD2 3/20 0.32
ABL1 P00519 1/20 0.32
BRAF P15056 1/20 0.32
TNF P01375 1/20 0.32

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
SCHEMBL13087497 0.92 PIK3CD (0.38) SCN9APIK3CDPRKCZNCOA3PRKD2
SCHEMBL13087430 0.91 DYRK1A (0.40) SCN9APIK3CDPRKCZPRKD2TBK1
SCHEMBL13090007 0.91 SCN9A (0.36) SCN9APIK3CDPRKCZNCOA3PRKD2
SCHEMBL13087390 0.88 PIK3CD (0.39) PIK3CDIRAK4PIK3CAPIK3CBPIK3CG
SCHEMBL13087636 0.86 PGR (0.38) SCN9APIK3CDIRAK4PRKCZPIK3CA
SCHEMBL13087781 0.85 PIK3CD (0.40) SCN9APIK3CDPRKCZPRKD2BRAF
SCHEMBL13087496 0.85 CCNT1 (0.38) SCN9APIK3CDIRAK4PRKCZCYP3A4
SCHEMBL13088012 0.84 SCN9A (0.36) SCN9APIK3CDIRAK4PRKCZPRKD2
SCHEMBL13087731 0.84 SCN9A (0.36) SCN9APIK3CDIRAK4PRKCZPRKD2
SCHEMBL13090042 0.84 CNR1 (0.37) SCN9APIK3CDIRAK4PRKCZPRKD2

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 SCN9A 3038/4885PIK3CD 763/4885PDE10A 4001/4885

“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.