SCHEMBL16625303

SCHEMBL16625303

CC(C)(C)[Si](OCCN1CCN(C(=O)c2ccc(B(O)O)cc2)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 6/20 0.50
DRD3 P35462 7/20 0.49
DRD2 P14416 5/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KCNH2 Q12809 1/20 0.44
NPC1 O15118 1/20 0.43
NAMPT P43490 1/20 0.42
LDHA P00338 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
SCHEMBL16625300 0.76 PLA2G1B (0.39) MEN1KMT2A
SCHEMBL28735718 0.75 MEN1 (0.49) DRD3MEN1KMT2AKCNH2
SCHEMBL12543946 0.74 ALDH1A1 (0.52) KCNA5DRD3DRD2MEN1KMT2A
SCHEMBL16625330 0.73 TNKS (0.43) KCNA5DRD3DRD2MEN1KMT2A
SCHEMBL1950937 0.73 ALDH1A1 (0.62) KCNA5DRD3DRD2MEN1KMT2A
SCHEMBL15367092 0.73 MEN1 (0.43) KCNA5MEN1KMT2A
SCHEMBL554235 0.72 SIGMAR1 (0.49) MEN1KMT2A
SCHEMBL12075598 0.72 LPL (0.42)
SCHEMBL3452863 0.71 ALDH1A1 (0.53) DRD3DRD2MEN1KMT2A
Hydrochloric Acid SCHEMBL2550272 0.71 POLB (0.63) MEN1KMT2ANPC1

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 KCNA5 3986/4885DRD3 3299/4885DRD2 3157/4885

“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.