SCHEMBL16616730

SCHEMBL16616730

CC(NC(=O)c1ccc(-c2cc3c(Cl)cccc3c(=O)[nH]2)cc1)C1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TNKS O95271 5/20 0.48
AKT1 P31749 4/20 0.39
PARP1 P09874 3/20 0.39
SMYD3 Q9H7B4 3/20 0.38
CNR2 P34972 3/20 0.38
IDO1 P14902 2/20 0.38
RIPK1 Q13546 1/20 0.37

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
SCHEMBL16625162 0.76 TNKS (0.53) TNKSPARP1
SCHEMBL16616729 0.73 TNKS (0.51) TNKSPARP1
SCHEMBL16616647 0.72 TNKS (0.49) TNKSPARP1
SCHEMBL18156518 0.70 TNKS (0.49) TNKSPARP1RIPK1
SCHEMBL16625168 0.69 TNKS (0.56) TNKSPARP1
SCHEMBL16625164 0.69 TNKS (0.60) TNKSPARP1RIPK1
SCHEMBL16625090 0.69 CDC7 (0.59) TNKSPARP1
SCHEMBL16625180 0.68 TNKS (0.53) TNKSPARP1
SCHEMBL18156295 0.68 TNKS (0.62) TNKSPARP1
SCHEMBL16616771 0.68 EGLN1 (0.53) SMYD3IDO1

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 3 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-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 1/4885AKT1 528/4885PARP1 4/4885

“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.