SCHEMBL16616729

SCHEMBL16616729

CN1CCC(CNC(=O)c2ccc(-c3cc4c(Cl)cccc4c(=O)[nH]3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TNKS O95271 4/20 0.51
PARP1 P09874 4/20 0.49
ROCK2 O75116 2/20 0.47
NAMPT P43490 2/20 0.46
RHEB Q15382 1/20 0.45
HDAC4 P56524 1/20 0.45
KCNH2 Q12809 2/20 0.43
CACNA1I Q9P0X4 2/20 0.43
MAPK10 P53779 1/20 0.43
MAPK14 Q16539 2/20 0.43
PAK1 Q13153 1/20 0.42

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
SCHEMBL16625161 0.83 TNKS (0.52) TNKSPARP1
SCHEMBL16625164 0.78 TNKS (0.60) TNKSPARP1
SCHEMBL16625176 0.75 TNKS (0.52) TNKSPARP1
SCHEMBL16627254 0.75 TNKS (0.57) TNKSPARP1ROCK2HDAC4MAPK14
SCHEMBL16625114 0.74 TNKS (0.80) TNKSPARP1
SCHEMBL16625185 0.73 TNKS (0.61) TNKSPARP1
SCHEMBL16616730 0.73 TNKS (0.48) TNKSPARP1
SCHEMBL16625168 0.72 TNKS (0.56) TNKSPARP1HDAC4
SCHEMBL16625174 0.72 HTR2A (0.56) TNKSPARP1
SCHEMBL16616645 0.72 TNKS (0.56) TNKSPARP1

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 6 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-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 4/4885ROCK2 403/4885

“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.