SCHEMBL16625199

SCHEMBL16625199

CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(-c3cc4c(Cl)cccc4c(=O)[nH]3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 11/20 0.48
F13A1 P00488 8/20 0.48
TGM1 P22735 5/20 0.48
TNKS O95271 3/20 0.47
KIT P10721 1/20 0.44
TGM3 Q08188 1/20 0.44
POLB P06746 1/20 0.42
STS P08842 3/20 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
SCHEMBL16625204 0.91 TNKS (0.48) TGM2F13A1TGM1TNKSKIT
SCHEMBL16625088 0.86 KIT (0.51) TNKSKIT
SCHEMBL16625122 0.84 TNKS (0.56) TNKSKIT
SCHEMBL16625178 0.84 TNKS (0.47) TNKSKITSTS
SCHEMBL16625185 0.82 TNKS (0.61) TNKSPOLB
SCHEMBL16625200 0.80 TNKS (0.70) TNKSKIT
SCHEMBL16625187 0.79 TNKS (0.54) TNKS
SCHEMBL16625205 0.78 LIMK2 (0.51) TNKSKIT
SCHEMBL16625198 0.77 KIT (0.51) TNKSKIT
SCHEMBL16625191 0.76 TNKS (0.57) TNKS

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 TGM2 3490/4885F13A1 3625/4885TGM1 2241/4885

“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.