SCHEMBL16625340

SCHEMBL16625340

CNC1CN(Cc2ccc(-c3cc4c(C)cc(F)cc4c(=O)[nH]3)cc2)C1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNKS O95271 16/20 0.70
PARP1 P09874 6/20 0.50
ADORA3 P0DMS8 1/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
TNKS2 Q9H2K2 3/20 0.35
CDK1 P06493 1/20 0.34
CDK2 P24941 1/20 0.34
CASP3 P42574 1/20 0.34
CDK9 P50750 1/20 0.34
CASP7 P55210 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
KCNH2 Q12809 1/20 0.34
CSF1R P07333 1/20 0.34

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
SCHEMBL16616942 0.88 TNKS (0.72) TNKSPARP1TNKS2KCNH2
SCHEMBL16625341 0.85 TNKS (0.74) TNKSPARP1TNKS2
SCHEMBL16616775 0.82 TNKS (0.80) TNKSPARP1TNKS2KCNH2
SCHEMBL16625150 0.82 TNKS (1.00) TNKSPARP1ADORA2BTNKS2
SCHEMBL16625334 0.78 TNKS (0.58) TNKSPARP1ADORA2BTNKS2
SCHEMBL16625342 0.77 TNKS (0.57) TNKSPARP1TNKS2DRD2DRD4
SCHEMBL16625261 0.75 TNKS (0.57) TNKSPARP1TNKS2KCNH2
SCHEMBL16625146 0.74 TNKS (0.70) TNKSPARP1TNKS2
SCHEMBL16625202 0.72 TNKS (0.82) TNKSPARP1ADORA2BTNKS2
SCHEMBL16625218 0.72 TNKS (0.77) TNKSPARP1TNKS2

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 4/4885ADORA3 2559/4885

“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.