SCHEMBL16627124

SCHEMBL16627124

CC1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(C#N)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.62
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TBK1 Q9UHD2 1/20 0.42
EGLN2 Q96KS0 1/20 0.41
AR P10275 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
DPP4 P27487 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
SCHEMBL31403464 0.86 GPR119 (0.46) GPR119TBK1MEN1KMT2A
SCHEMBL30774994 0.86 GPR119 (0.47) GPR119TBK1MEN1KMT2A
SCHEMBL20684921 0.85 ALDH1A1 (0.47) GPR119ALDH1A1MAPK1TBK1MAPT
SCHEMBL18083774 0.85 ALDH1A1 (0.47) GPR119ALDH1A1MAPK1TBK1MAPT
SCHEMBL18083710 0.85 ALDH1A1 (0.47) GPR119ALDH1A1MAPK1TBK1MAPT
SCHEMBL14198702 0.85 GPR119 (0.50) GPR119PDK1PDK2PDK3PDK4
SCHEMBL15055262 0.85 GPR119 (0.50) GPR119PDK1PDK2PDK3PDK4
SCHEMBL12340707 0.85 GPR119 (0.50) GPR119PDK1PDK2PDK3PDK4
SCHEMBL28346940 0.84 HDAC1 (0.54) GPR119ALDH1A1CYP2C19TBK1MEN1
SCHEMBL20333301 0.84 HDAC1 (0.54) GPR119ALDH1A1CYP2C19TBK1MEN1

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 3 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-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 GPR119 2578/4885PDK1 465/4885PDK2 130/4885

“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.