SCHEMBL16569878

SCHEMBL16569878

COCc1nccn1Cc1ccc(-c2cc3c(C#N)cccc3c(=O)[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 13/20 0.41
▸ PARP1 P09874 6/20 0.41
▸ TNKS2 Q9H2K2 1/20 0.38
▸ KLKB1 P03952 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.36
▸ HSP90B1 P14625 1/20 0.36
▸ ADORA2A P29274 1/20 0.35

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
SCHEMBL16578848 0.88 TNKS (0.52) TNKSPARP1TNKS2
SCHEMBL16569441 0.88 TNKS (0.41) TNKSPARP1TNKS2HSP90AA1HSP90B1
SCHEMBL16578841 0.86 TNKS (0.46) TNKSPARP1TNKS2
SCHEMBL16578858 0.85 TNKS (0.41) TNKSPARP1TNKS2
SCHEMBL16578857 0.84 PARP1 (0.42) TNKSPARP1ADORA2A
SCHEMBL16578829 0.82 TNKS (0.39) TNKSPARP1TNKS2
SCHEMBL16578695 0.81 TNKS (0.41) TNKSPARP1TNKS2KLKB1
SCHEMBL16578728 0.81 TNKS (0.43) TNKSPARP1TNKS2
SCHEMBL19882173 0.79 TNKS (0.41) TNKSPARP1TNKS2
SCHEMBL16578832 0.79 TNKS (0.47) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3044221-B1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE INST OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2018-02-21 — — EP disclosed
EP-3044221-B1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE INST OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2018-02-21 — — EP disclosed
US-9611223-B2 3-aryl-5-substituted-isoquinolin-1-one compounds and their therapeutic use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2017-04-04 — — US disclosed
US-9611223-B2 3-aryl-5-substituted-isoquinolin-1-one compounds and their therapeutic use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2017-04-04 — — US disclosed
US-9611223-B2 3-aryl-5-substituted-isoquinolin-1-one compounds and their therapeutic use INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2017-04-04 — — US disclosed
US-20160221953-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE INSTITUTE OF CANCER RESEARCH ROYAL CANCER HOSPITAL (THE) (GB) 2016-08-04 — — US disclosed
US-20160221953-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE INSTITUTE OF CANCER RESEARCH ROYAL CANCER HOSPITAL (THE) (GB) 2016-08-04 — — US disclosed
US-20160221953-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE INSTITUTE OF CANCER RESEARCH ROYAL CANCER HOSPITAL (THE) (GB) 2016-08-04 — — US disclosed
EP-3044221-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE Institute of Cancer Research: Royal Cancer Hospital (The) (GB) 2016-07-20 — — EP disclosed
WO-2015036759-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-03-19 — — WO disclosed
WO-2015036759-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (THE) (GB) 2015-03-19 — — WO 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-20160221953-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE TNKS, TNKS2, PARP1 TNKS 1/4885PARP1 3/4885TNKS2 2/4885

“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.

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