SCHEMBL13089995

SCHEMBL13089995

O=S(=O)(C1CC1)N1CCC(Nc2cc(-c3ccccc3)cc3ccncc23)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 8/20 0.48
PRKD2 Q9BZL6 7/20 0.48
IKBKB O14920 2/20 0.41
CHUK O15111 2/20 0.41
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 1/20 0.40
CNR1 P21554 1/20 0.39
BRD4 O60885 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP17A1 P05093 1/20 0.38
CYP21A2 P08686 1/20 0.38
JAK1 P23458 1/20 0.38
CCR6 P51684 2/20 0.37

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
SCHEMBL13087291 0.94 CYP17A1 (0.43) PRKCZPRKD2CNR1CYP17A1CYP21A2
SCHEMBL13087679 0.90 CYP17A1 (0.43) PRKCZPRKD2ROCK2ROCK1CNR1
SCHEMBL13087455 0.90 PRKCZ (0.48) PRKCZPRKD2IKBKBCHUKROCK2
SCHEMBL2425561 0.89 EPHX2 (0.42) PRKCZPRKD2IKBKBCHUKROCK2
SCHEMBL13087814 0.89 CNR1 (0.42) PRKCZPRKD2ROCK2ROCK1CNR1
SCHEMBL13087196 0.89 PRKCZ (0.52) PRKCZPRKD2ROCK2ROCK1CNR1
SCHEMBL13087424 0.89 CSNK1E (0.42) PRKCZPRKD2ROCK2ROCK1CNR1
SCHEMBL13087668 0.89 PRKCZ (0.42) PRKCZPRKD2IKBKBROCK2CNR1
SCHEMBL13089964 0.89 IKBKB (0.53) PRKCZPRKD2IKBKBCHUKROCK2
SCHEMBL13087859 0.89 CNR1 (0.38) PRKCZPRKD2ROCK2ROCK1CNR1

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 49/4885IKBKB 7/4885

“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.