SCHEMBL16625329

SCHEMBL16625329

Cc1cc(F)cc2c(=O)[nH]c(-c3ccc(C(=O)N4CCN(CCO[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)CC4)cc3)cc12

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TNKS O95271 5/20 0.51
KCNA5 P22460 4/20 0.40
PARP1 P09874 3/20 0.38
KCNH2 Q12809 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
LDHA P00338 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MGLL Q99685 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL16625330 0.93 TNKS (0.43) TNKSKCNA5PARP1KCNH2DRD2
SCHEMBL16625331 0.88 KCNA5 (0.40) TNKSKCNA5PARP1KCNH2DRD2
SCHEMBL16625240 0.82 TNKS (0.61) TNKSPARP1KCNH2MEN1KMT2A
SCHEMBL16625238 0.79 TNKS (0.74) TNKSPARP1MEN1KMT2A
SCHEMBL16625165 0.74 TNKS (0.56) TNKSKCNA5PARP1DRD2DRD3
SCHEMBL16625342 0.74 TNKS (0.57) TNKSPARP1DRD2DRD3
SCHEMBL16616731 0.73 TNKS (0.48) TNKSPARP1KCNH2MGLL
SCHEMBL16625303 0.73 KCNA5 (0.50) KCNA5KCNH2DRD2DRD3LDHA
SCHEMBL18156508 0.71 KCNA5 (0.42) TNKSKCNA5PARP1KCNH2DRD2
SCHEMBL16625270 0.71 TNKS (0.61) TNKSPARP1MEN1KMT2A

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 1/4885KCNA5 3986/4885PARP1 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.