SCHEMBL17971373

SCHEMBL17971373

CC(C)(C)OC(=O)N1C2CCC1CN(Cc1ccc(-c3cc4c(C#N)cccc4c(=O)[nH]3)cc1)C2

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 7/20 0.47
▸ PARP1 P09874 3/20 0.46
▸ KCNK3 O14649 5/20 0.41
▸ KCNK9 Q9NPC2 5/20 0.41
▸ GPR119 Q8TDV5 2/20 0.38
▸ RET P07949 1/20 0.38
▸ CHEK1 O14757 1/20 0.36
▸ PARP2 Q9UGN5 1/20 0.36
▸ TBK1 Q9UHD2 2/20 0.36
▸ NSD2 O96028 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
SCHEMBL16625212 0.88 TNKS (0.61) TNKSPARP1KCNK3KCNK9PARP2
SCHEMBL17971372 0.88 TNKS (0.49) TNKSPARP1KCNK3KCNK9PARP2
SCHEMBL16578949 0.87 TNKS (0.50) TNKSPARP1CHEK1
SCHEMBL16569611 0.85 TNKS (0.52) TNKSPARP1GPR119TBK1NSD2
SCHEMBL16625133 0.79 TNKS (0.62) TNKSPARP1PARP2
SCHEMBL16578900 0.79 TNKS (0.54) TNKSPARP1CHEK1TBK1
SCHEMBL18699319 0.78 TNKS (0.55) TNKSPARP1CHEK1
SCHEMBL16578887 0.77 PRMT5 (0.44) TNKSPARP1NSD2
SCHEMBL16578741 0.77 TNKS (0.76) TNKSPARP1CHEK1NSD2
SCHEMBL15268552 0.77 TNKS (0.52) TNKSPARP1GPR119PARP2TBK1

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-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-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

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 3/4885KCNK3 1271/4885

“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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