SCHEMBL16578741

SCHEMBL16578741

CN(C)C1CCN(Cc2ccc(-c3cc4c(C#N)cccc4c(=O)[nH]3)cc2)CC1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TNKS O95271 11/20 0.76
PARP1 P09874 5/20 0.76
CHEK1 O14757 1/20 0.44
ADORA2B P29275 1/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
PARP14 Q460N5 1/20 0.41
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40
NSD2 O96028 1/20 0.40
PRKCQ Q04759 1/20 0.39
PRKCD Q05655 1/20 0.39

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
SCHEMBL17971369 0.94 TNKS (0.68) TNKSPARP1CHEK1ADORA2BNSD2
SCHEMBL19882216 0.94 TNKS (0.68) TNKSPARP1CHEK1ADORA2BNSD2
SCHEMBL16625125 0.86 TNKS (1.00) TNKSPARP1ADORA2B
SCHEMBL18699319 0.86 TNKS (0.55) TNKSPARP1CHEK1PARP14
SCHEMBL18699318 0.85 TNKS (0.56) TNKSPARP1CHEK1PARP14AKT1
SCHEMBL16578854 0.85 TNKS (0.80) TNKSPARP1ADORA2B
SCHEMBL16569773 0.85 TNKS (0.74) TNKSPARP1
SCHEMBL16569744 0.84 TNKS (0.72) TNKSPARP1CHEK1
SCHEMBL16578907 0.82 TNKS (0.68) TNKSPARP1
SCHEMBL16578900 0.82 TNKS (0.54) TNKSPARP1CHEK1PARP14

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 6 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
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 3/4885CHEK1 247/4885

“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.