SCHEMBL16625205

SCHEMBL16625205

CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1ccc(-c2cc3c(Cl)cccc3c(=O)[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LIMK2 P53671 1/20 0.51
TNKS O95271 3/20 0.48
GPR119 Q8TDV5 13/20 0.44
USP30 Q70CQ3 1/20 0.42
PARP1 P09874 2/20 0.41
PARP2 Q9UGN5 1/20 0.41
KIT P10721 1/20 0.40

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
SCHEMBL16616599 0.91 LIMK2 (0.52) LIMK2TNKSGPR119USP30PARP1
SCHEMBL16625161 0.87 TNKS (0.52) TNKSPARP1
SCHEMBL16625178 0.86 TNKS (0.47) LIMK2TNKSGPR119PARP1PARP2
SCHEMBL16625162 0.83 TNKS (0.53) TNKSUSP30PARP1
SCHEMBL16625122 0.79 TNKS (0.56) TNKSGPR119PARP1PARP2KIT
SCHEMBL16617127 0.79 USP30 (0.55) TNKSGPR119USP30PARP1
SCHEMBL16625088 0.79 KIT (0.51) TNKSGPR119KIT
SCHEMBL16625199 0.78 TGM2 (0.48) TNKSKIT
SCHEMBL16625177 0.77 TNKS (0.47) LIMK2TNKSGPR119PARP1KIT
SCHEMBL16616645 0.77 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 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 LIMK2 99/4885TNKS 1/4885GPR119 2578/4885

“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.