SCHEMBL16616716

SCHEMBL16616716

CN(C)CCOc1ccc(-c2cc3c(C#CCCO)cccc3c(=O)[nH]2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 9/20 0.66
PARP1 P09874 3/20 0.42
AURKA O14965 1/20 0.38
JAK2 O60674 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
INSR P06213 1/20 0.38
LCK P06239 1/20 0.38
IGF1R P08069 1/20 0.38
MET P08581 1/20 0.38
KIT P10721 1/20 0.38
FGFR4 P22455 1/20 0.38
CDK2 P24941 1/20 0.38
MAPK1 P28482 1/20 0.38
KDR P35968 1/20 0.38
SYK P43405 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
GSK3B P49841 1/20 0.38

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
SCHEMBL16625278 0.92 TNKS (0.68) TNKSPARP1AURKAJAK2EGFR
SCHEMBL16625277 0.88 TNKS (0.67) TNKSPARP1AURKAJAK2EGFR
SCHEMBL16578901 0.84 TNKS (0.73) TNKSPARP1AURKAJAK2EGFR
SCHEMBL16616562 0.80 TNKS (1.00) TNKSPARP1CTSVCTSLTNKS2
SCHEMBL16625190 0.79 TNKS (0.78) TNKSPARP1AURKAJAK2EGFR
SCHEMBL15268540 0.79 TNKS (0.78) TNKSPARP1AURKAJAK2EGFR
SCHEMBL16625192 0.79 TNKS (0.78) TNKSPARP1AURKAJAK2EGFR
SCHEMBL16625195 0.76 TNKS (0.73) TNKSPARP1AURKAJAK2EGFR
SCHEMBL16625349 0.75 TNKS (1.00) TNKSCTSVCTSLITGA4NAPEPLD
SCHEMBL15268529 0.74 TNKS (0.38) TNKSITGA4NAPEPLDBRAFKDM4E

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 8 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
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-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
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 4/4885AURKA 277/4885

“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.