SCHEMBL16625334

SCHEMBL16625334

Cc1cc(F)cc2c(=O)[nH]c(-c3ccc(CN4CC(N(C)C(=O)OC(C)(C)C)C4)cc3)cc12

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TNKS O95271 13/20 0.58
PARP1 P09874 5/20 0.47
DDR1 Q08345 4/20 0.36
PARP2 Q9UGN5 1/20 0.35
TNKS2 Q9H2K2 1/20 0.34
SPR P35270 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 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
SCHEMBL16625336 0.88 TNKS (0.72) TNKSPARP1TNKS2SPR
SCHEMBL16625146 0.81 TNKS (0.70) TNKSPARP1TNKS2
SCHEMBL16616942 0.81 TNKS (0.72) TNKSPARP1TNKS2
SCHEMBL16625340 0.78 TNKS (0.70) TNKSPARP1TNKS2ADORA2B
SCHEMBL16625332 0.75 USP30 (0.59) TNKS
SCHEMBL16625342 0.74 TNKS (0.57) TNKSPARP1TNKS2
SCHEMBL16625339 0.74 USP30 (0.51) TNKS
SCHEMBL16625150 0.74 TNKS (1.00) TNKSPARP1TNKS2ADORA2B
SCHEMBL16616775 0.74 TNKS (0.80) TNKSPARP1TNKS2
SCHEMBL16625248 0.74 TNKS (0.54) 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 4/4885DDR1 1200/4885

“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.