SCHEMBL16627304

SCHEMBL16627304

CC(C)(CCCN1CCN(c2ccc(-c3cc4c(Cl)cccc4c(=O)[nH]3)cn2)CC1)[Si](C)(C)O

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNKS O95271 14/20 0.68
PARP1 P09874 3/20 0.40
KCNH2 Q12809 2/20 0.39
PARP2 Q9UGN5 2/20 0.39
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
HTR1A P08908 2/20 0.38
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 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
SCHEMBL16627303 0.91 TNKS (0.67) TNKSPARP1AURKAAURKBTLR9
SCHEMBL16625089 0.84 TNKS (0.77) TNKSPARP1KCNH2PARP2HTR1A
SCHEMBL16625282 0.83 TNKS (0.69) TNKSPARP1KCNH2PARP2HTR1A
SCHEMBL16625096 0.82 TNKS (0.76) TNKSPARP1HTR1ADRD2DRD1
SCHEMBL16617025 0.81 TNKS (1.00) TNKSPARP1
SCHEMBL16625103 0.79 TNKS (0.79) TNKSPARP1
SCHEMBL16625200 0.77 TNKS (0.70) TNKS
SCHEMBL16616335 0.76 TNKS (0.78) TNKSPARP1TLR9TLR8TLR7
SCHEMBL16625085 0.74 TNKS (0.74) TNKSPARP1TLR9TLR8TLR7
SCHEMBL16617115 0.74 TNKS (0.68) TNKSPARP1TLR9TLR8TLR7

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 3 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-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 4/4885KCNH2 3942/4885

“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.