SCHEMBL16625262

SCHEMBL16625262

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

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TNKS O95271 14/20 0.49
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
PARP1 P09874 5/20 0.36
TNKS2 Q9H2K2 3/20 0.36
KIT P10721 5/20 0.35
KCNH2 Q12809 2/20 0.35

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
SCHEMBL16625261 0.81 TNKS (0.57) TNKSROCK2ROCK1PARP1TNKS2
SCHEMBL16625264 0.80 TNKS (0.49) TNKSPARP1TNKS2KCNH2
SCHEMBL18156445 0.79 TNKS (0.48) TNKSPARP1TNKS2KCNH2
SCHEMBL16625234 0.79 TNKS (0.52) TNKSPARP1TNKS2KCNH2
SCHEMBL16616942 0.78 TNKS (0.72) TNKSPARP1TNKS2KCNH2
SCHEMBL16625250 0.73 TNKS (0.52) TNKSPARP1
SCHEMBL16625238 0.71 TNKS (0.74) TNKSPARP1TNKS2
SCHEMBL16625248 0.71 TNKS (0.54) TNKSPARP1TNKS2
SCHEMBL18156472 0.70 TNKS (0.53) TNKSPARP1TNKS2KIT
SCHEMBL16625239 0.69 TNKS (0.53) 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 1/4885ROCK2 403/4885ROCK1 515/4885

“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.