SCHEMBL16627296

SCHEMBL16627296

CN(C)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.62
CCR6 P51684 7/20 0.55
CCNA2 P20248 1/20 0.53
CDK2 P24941 1/20 0.53
EPHX2 P34913 1/20 0.53
USP5 P45974 1/20 0.53
JAK2 O60674 1/20 0.53
JAK1 P23458 1/20 0.53
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM1A O60341 1/20 0.51
TRPV4 Q9HBA0 1/20 0.50
PKM P14618 1/20 0.50
PKLR P30613 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL13993549 0.84 MEN1 (0.69) HSD11B1CCR6EPHX2GAAL3MBTL1
SCHEMBL19092139 0.82 KMT2A (0.62) USP5GAATRPV4PKMMEN1
SCHEMBL13844995 0.81 USP5 (0.56) USP5GAATRPV4PKMMEN1
SCHEMBL14421722 0.81 EPHX2 (0.56) HSD11B1CCR6EPHX2GAAL3MBTL1
SCHEMBL20598412 0.81 USP5 (0.56) USP5GAATRPV4MEN1KMT2A
SCHEMBL6110117 0.80 HSD11B1 (0.54) HSD11B1CCR6CCNA2CDK2EPHX2
SCHEMBL7520289 0.80 EPHX2 (0.48) HSD11B1CCR6CCNA2CDK2EPHX2
SCHEMBL23884723 0.78 USP5 (0.54) USP5GAAL3MBTL1TRPV4MEN1
SCHEMBL12385818 0.78 MEN1 (0.56) HSD11B1CCR6EPHX2JAK2JAK1
SCHEMBL20884976 0.78 MCOLN3 (0.71) EPHX2USP5GAATRPV4MEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2822656-B1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE CANCER RES INST ROYAL (GB) 2016-10-19 EP disclosed
US-9193689-B2 3-aryl-5-substituted-isoquinolin-1-one compounds and their therapeutic use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-11-24 US disclosed
US-20150099732-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-04-09 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-20150099732-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE TNKS, TNKS2, PARP11 HSD11B1 3046/4885CCR6 4458/4885CCNA2 402/4885

“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.