SCHEMBL13087291

SCHEMBL13087291

O=S(=O)(C1CC1)N1CCC(Nc2cc(-c3ccncc3)cc3ccncc23)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 3/20 0.43
CYP21A2 P08686 3/20 0.43
LATS1 O95835 2/20 0.42
LATS2 Q9NRM7 1/20 0.42
CYP11B1 P15538 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP19A1 P11511 1/20 0.41
PRKCZ Q05513 8/20 0.41
PRKD2 Q9BZL6 7/20 0.41
CNR1 P21554 1/20 0.40
JAK1 P23458 1/20 0.39
DYRK1A Q13627 1/20 0.37
NAMPT P43490 1/20 0.37
PRKD1 Q15139 1/20 0.36
CCND1 P24385 2/20 0.36
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
CDK6 Q00534 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
SCHEMBL13089995 0.94 PRKCZ (0.48) CYP17A1CYP21A2PRKCZPRKD2CNR1
SCHEMBL13087679 0.92 CYP17A1 (0.43) CYP17A1CYP21A2CYP11B1CYP3A4CYP19A1
SCHEMBL13087668 0.91 PRKCZ (0.42) CYP17A1CYP21A2CYP11B1PRKCZPRKD2
SCHEMBL13087859 0.91 CNR1 (0.38) CYP17A1CYP21A2LATS1LATS2PRKCZ
SCHEMBL13087480 0.90 CNR1 (0.37) CYP17A1CYP21A2LATS1LATS2CYP11B1
SCHEMBL13087368 0.89 DYRK1A (0.47) LATS1LATS2PRKCZPRKD2CNR1
SCHEMBL13087593 0.89 TLR8 (0.42) CYP17A1CYP21A2LATS1LATS2PRKCZ
SCHEMBL13087490 0.89 CCR6 (0.46) CYP11B1PRKCZPRKD2CCND1CCNE1
SCHEMBL13087292 0.89 CYP17A1 (0.39) CYP17A1CYP21A2LATS1LATS2CYP11B1
SCHEMBL13087868 0.88 PRKCZ (0.42) PRKCZPRKD2CNR1NAMPTCCND1

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 CYP17A1 777/4885CYP21A2 1621/4885LATS1 759/4885

“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.