SCHEMBL13087455

SCHEMBL13087455

CS(=O)(=O)N1CCC(Nc2cc(-c3ccccc3)cc3ccncc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 4/20 0.48
PRKD2 Q9BZL6 3/20 0.48
IDO1 P14902 2/20 0.47
DYRK1A Q13627 1/20 0.46
IKBKB O14920 2/20 0.44
NSD2 O96028 1/20 0.43
CHUK O15111 1/20 0.43
CDK2 P24941 5/20 0.42
CCNE1 P24864 4/20 0.42
CDK4 P11802 2/20 0.42
CCND1 P24385 2/20 0.42
CCNT1 O60563 1/20 0.42
CDK9 P50750 1/20 0.42
CDK6 Q00534 1/20 0.42
JAK2 O60674 1/20 0.40
JAK3 P52333 1/20 0.40
PTK2 Q05397 1/20 0.40
MAPK3 P27361 1/20 0.40
KDM1A O60341 1/20 0.40
ROCK2 O75116 1/20 0.40

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
SCHEMBL13087368 0.94 DYRK1A (0.47) PRKCZPRKD2IDO1DYRK1AIKBKB
SCHEMBL13089964 0.91 IKBKB (0.53) PRKCZPRKD2IKBKBCHUKCDK2
SCHEMBL13087482 0.90 IDO1 (0.45) PRKCZPRKD2IDO1DYRK1AIKBKB
SCHEMBL13087624 0.90 TDO2 (0.47) PRKCZPRKD2IDO1DYRK1AIKBKB
SCHEMBL13087876 0.90 ROCK2 (0.45) PRKCZPRKD2IDO1DYRK1AIKBKB
SCHEMBL13087350 0.90 DYRK1A (0.46) PRKCZPRKD2IDO1DYRK1AIKBKB
SCHEMBL13089995 0.90 PRKCZ (0.48) PRKCZPRKD2IKBKBCHUKROCK2
SCHEMBL13087504 0.89 IDO1 (0.44) PRKCZPRKD2IDO1DYRK1AIKBKB
SCHEMBL13087675 0.89 IKBKB (0.45) PRKCZPRKD2IDO1DYRK1AIKBKB
SCHEMBL2431223 0.89 PRKCZ (0.52) PRKCZPRKD2IDO1DYRK1AIKBKB

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 49/4885IDO1 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.