SCHEMBL16625168

SCHEMBL16625168

CN(C)C1CCN(C(=O)c2ccc(-c3cc4c(Cl)cccc4c(=O)[nH]3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNKS O95271 9/20 0.56
PARP1 P09874 2/20 0.56
L3MBTL3 Q96JM7 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.46
TLR9 Q9NR96 3/20 0.44
TLR7 Q9NYK1 3/20 0.44
TLR8 Q9NR97 2/20 0.44
HDAC4 P56524 1/20 0.43
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
TTK P33981 1/20 0.43
AURKB Q96GD4 1/20 0.43
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
MGLL Q99685 1/20 0.42

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
SCHEMBL16625170 0.89 TNKS (0.68) TNKSPARP1L3MBTL3L3MBTL1TLR9
SCHEMBL16625164 0.85 TNKS (0.60) TNKSPARP1MGLL
SCHEMBL16625191 0.81 TNKS (0.57) TNKSPARP1
SCHEMBL16625245 0.79 TNKS (0.67) TNKSPARP1JAK1
SCHEMBL16625085 0.78 TNKS (0.74) TNKSPARP1TLR9TLR7TLR8
SCHEMBL16625161 0.76 TNKS (0.52) TNKSPARP1
SCHEMBL16625174 0.74 HTR2A (0.56) TNKSPARP1L3MBTL1
SCHEMBL6647334 0.74 TNKS (0.47) TNKSPARP1
SCHEMBL16625087 0.74 TNKS (0.68) TNKSPARP1
SCHEMBL16625205 0.74 LIMK2 (0.51) 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 4/4885L3MBTL3 1815/4885

“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.