SCHEMBL16625102

SCHEMBL16625102

Cc1cccc2c(=O)[nH]c(-c3ccc(N4CCNCC4)nc3)cc12

nearest known ligand 0.80

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TNKS O95271 15/20 0.80
PARP1 P09874 4/20 0.50
KCNH2 Q12809 1/20 0.45
CACNA1C Q13936 1/20 0.45
ASIC3 Q9UHC3 1/20 0.45
TLR9 Q9NR96 2/20 0.45
TLR8 Q9NR97 2/20 0.45
TLR7 Q9NYK1 2/20 0.45
GPR119 Q8TDV5 1/20 0.43

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
SCHEMBL16625081 0.89 TNKS (1.00) TNKSPARP1TLR9TLR8TLR7
SCHEMBL16625103 0.87 TNKS (0.79) TNKSPARP1GPR119
SCHEMBL16616433 0.87 TNKS (0.80) TNKSPARP1
SCHEMBL16625083 0.85 TNKS (0.78) TNKSPARP1TLR8TLR7
SCHEMBL16625082 0.85 TNKS (0.78) TNKSPARP1
SCHEMBL16625084 0.85 TNKS (0.73) TNKSPARP1TLR9TLR8TLR7
SCHEMBL16578770 0.84 TNKS (0.58) TNKSPARP1
SCHEMBL16616335 0.84 TNKS (0.78) TNKSPARP1TLR9TLR8TLR7
SCHEMBL16625094 0.83 TNKS (0.70) TNKSPARP1
SCHEMBL16625095 0.82 TNKS (0.75) TNKSPARP1TLR7

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 4/4885KCNH2 3942/4885

“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.