SCHEMBL16625189

SCHEMBL16625189

Cc1cccc2c(=O)[nH]c(-c3ccc(S(=O)(=O)N4CCNCC4)cc3)cc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 12/20 0.65
PARP1 P09874 5/20 0.53
ALDH1A1 P00352 3/20 0.46
SRC P12931 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
ROCK2 O75116 1/20 0.42
ULK1 O75385 1/20 0.42
CCL2 P13500 1/20 0.42
HPGD P15428 1/20 0.42
PRKACA P17612 1/20 0.42
PRKACG P22612 1/20 0.42
PRKACB P22694 1/20 0.42
CLK1 P49759 1/20 0.42
KCNH2 Q12809 1/20 0.42
ROCK1 Q13464 1/20 0.42
PKN1 Q16512 1/20 0.42
PKN2 Q16513 1/20 0.42
ACAD10 Q6JQN1 1/20 0.42

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
SCHEMBL16625184 0.89 TNKS (0.65) TNKSPARP1
SCHEMBL16625187 0.88 TNKS (0.54) TNKSPARP1ALDH1A1SRCMAPT
SCHEMBL16625188 0.84 TNKS (0.68) TNKSPARP1TNKS2
SCHEMBL16625094 0.81 TNKS (0.70) TNKSPARP1TNKS2
SCHEMBL16616449 0.81 TNKS (0.46) TNKSPARP1ALDH1A1PKMTNKS2
SCHEMBL16625204 0.80 TNKS (0.48) TNKSPARP1
SCHEMBL16616588 0.79 TNKS (1.00) TNKSPARP1
SCHEMBL16625185 0.78 TNKS (0.61) TNKSPARP1MAPT
SCHEMBL16625145 0.78 TNKS (0.65) TNKSPARP1TNKS2
SCHEMBL16625139 0.78 TNKS (0.65) 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 5 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

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 4/4885ALDH1A1 1976/4885

“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.