SCHEMBL16625281

SCHEMBL16625281

Cc1cccc2c(=O)[nH]c(-c3ccc(CN(C)C(=O)C4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc12

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TNKS O95271 12/20 0.56
PARP1 P09874 6/20 0.56
GPR119 Q8TDV5 2/20 0.45
PTPRB P23467 1/20 0.43
PTPN11 Q06124 1/20 0.43
BIRC5 O15392 1/20 0.42
PARP2 Q9UGN5 2/20 0.40

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
SCHEMBL16616599 0.82 LIMK2 (0.52) TNKSPARP1GPR119
SCHEMBL16625112 0.81 TNKS (0.69) TNKSPARP1GPR119
SCHEMBL16617127 0.81 USP30 (0.55) TNKSPARP1GPR119
SCHEMBL18156312 0.80 TNKS (0.49) TNKSPARP1GPR119PARP2
SCHEMBL16625177 0.79 TNKS (0.47) TNKSPARP1GPR119
SCHEMBL16625131 0.78 TNKS (0.65) TNKSPARP1GPR119
SCHEMBL16625093 0.78 TNKS (0.52) TNKSPARP1GPR119
SCHEMBL16625333 0.78 USP30 (0.63) TNKSPARP1GPR119
SCHEMBL16625284 0.77 TNKS (0.62) TNKSPARP1PARP2
SCHEMBL16625138 0.77 TNKS (0.48) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 4/4885GPR119 2578/4885

“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.