SCHEMBL16625165

SCHEMBL16625165

COCCN1CCN(C(=O)c2ccc(-c3cc4c(C)cccc4c(=O)[nH]3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TNKS O95271 13/20 0.56
PARP1 P09874 3/20 0.56
TLR9 Q9NR96 1/20 0.49
TLR8 Q9NR97 1/20 0.49
TLR7 Q9NYK1 1/20 0.49
PKM P14618 1/20 0.48
KMT2A Q03164 1/20 0.48
DRD2 P14416 3/20 0.47
DRD3 P35462 3/20 0.47
NAMPT P43490 1/20 0.46
KCNA5 P22460 1/20 0.44

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
SCHEMBL16578729 0.87 TLR9 (0.46) TNKSPARP1TLR9TLR8TLR7
SCHEMBL16625167 0.86 TNKS (0.73) TNKSPARP1
SCHEMBL16625171 0.81 TNKS (0.66) TNKSPARP1
SCHEMBL16625169 0.81 TNKS (0.57) TNKSPARP1
SCHEMBL16625239 0.78 TNKS (0.53) TNKSPARP1
SCHEMBL16625170 0.78 TNKS (0.68) TNKSPARP1TLR9TLR8TLR7
SCHEMBL16625240 0.76 TNKS (0.61) TNKSPARP1TLR9TLR8TLR7
SCHEMBL16625193 0.76 TNKS (0.67) TNKSPARP1DRD2DRD3
SCHEMBL16616937 0.76 TNKS (0.58) TNKSPARP1TLR9TLR8TLR7
SCHEMBL16616653 0.75 TNKS (0.77) TNKSPARP1

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 5 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-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
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 TNKS 1/4885PARP1 4/4885TLR9 2126/4885

“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.