SCHEMBL16625261

SCHEMBL16625261

Cc1cc(F)cc2c(=O)[nH]c(-c3ccc(CC(=O)N4CC(O)C4)cc3)cc12

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TNKS O95271 15/20 0.57
PARP1 P09874 6/20 0.40
TNKS2 Q9H2K2 3/20 0.37
KCNH2 Q12809 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
ROCK2 O75116 2/20 0.37
ROCK1 Q13464 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 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
SCHEMBL16625260 0.86 TNKS (0.59) TNKSPARP1TNKS2SMN1; SMN2TSHR
SCHEMBL16616942 0.85 TNKS (0.72) TNKSPARP1TNKS2KCNH2
SCHEMBL16625264 0.81 TNKS (0.49) TNKSPARP1TNKS2KCNH2
SCHEMBL16625262 0.81 TNKS (0.49) TNKSPARP1TNKS2KCNH2ROCK2
SCHEMBL18156445 0.80 TNKS (0.48) TNKSPARP1TNKS2KCNH2
SCHEMBL16625234 0.80 TNKS (0.52) TNKSPARP1TNKS2KCNH2
SCHEMBL16616775 0.75 TNKS (0.80) TNKSPARP1TNKS2KCNH2
SCHEMBL16625340 0.75 TNKS (0.70) TNKSPARP1TNKS2KCNH2
SCHEMBL16625250 0.74 TNKS (0.52) TNKSPARP1
SCHEMBL16578862 0.73 TNKS (0.54) TNKSPARP1ROCK2ROCK1

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 4/4885TNKS2 2/4885

“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.