SCHEMBL15775242

SCHEMBL15775242

Cc1cccc2c(=O)[nH]c(-c3ccc(CN4CCCC4)cc3)cc12

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TNKS O95271 17/20 0.83
PARP1 P09874 4/20 0.83
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
TNKS2 Q9H2K2 1/20 0.45
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
CDK2 P24941 1/20 0.44

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
SCHEMBL15775444 0.99 TNKS (0.81) TNKSPARP1CYP2D6CYP2C19CDK4
Hydrochloric Acid SCHEMBL15775374 0.99 TNKS (0.81) TNKSPARP1CYP2D6CYP2C19TNKS2
SCHEMBL16625136 0.91 TNKS (0.92) TNKSPARP1
SCHEMBL16625137 0.91 TNKS (0.92) TNKSPARP1
SCHEMBL16625111 0.91 TNKS (1.00) TNKSPARP1
SCHEMBL16616588 0.91 TNKS (1.00) TNKSPARP1
SCHEMBL16625108 0.90 TNKS (1.00) TNKSPARP1CDK4CCND1CDK2
SCHEMBL16625116 0.88 TNKS (0.69) TNKSPARP1
SCHEMBL16616339 0.88 TNKS (0.78) TNKSPARP1
SCHEMBL16616653 0.87 TNKS (0.77) TNKSPARP1

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 7 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
WO-2014087165-A1 TANKYRASE INHIBITORS UNIVERSITY OF BATH (GB) 2014-06-12 WO disclosed
WO-2014087165-A1 TANKYRASE INHIBITORS UNIVERSITY OF BATH (GB) 2014-06-12 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-20150099732-A1 3-ARYL-5-SUBSTITUTED-ISOQUINOLIN-1-ONE COMPOUNDS AND THEIR THERAPEUTIC USE TNKS, TNKS2, PARP11 TNKS 1/4885PARP1 4/4885CYP2D6 2537/4885

“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.