SCHEMBL16627283

SCHEMBL16627283

CN(C)C1CCN(C(=O)c2ccc(C#N)cc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.77
MKNK1 Q9BUB5 2/20 0.64
MKNK2 Q9HBH9 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.63
ALDH1A1 P00352 1/20 0.56
EPHX2 P34913 1/20 0.55
KDM1A O60341 3/20 0.53
PDK1 Q15118 1/20 0.52
PDK2 Q15119 1/20 0.52
PDK3 Q15120 1/20 0.52
PDK4 Q16654 1/20 0.52
EGLN1 Q9GZT9 1/20 0.52
HDAC4 P56524 1/20 0.51
GRM5 P41594 2/20 0.50
NOS1 P29475 1/20 0.49
NOS2 P35228 1/20 0.49
GPR119 Q8TDV5 1/20 0.49
SLC6A7 Q99884 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL13503971 0.84 GRM5 (0.69) L3MBTL3ALDH1A1EPHX2KDM1APDK1
SCHEMBL21360549 0.82 L3MBTL3 (0.71) L3MBTL3MKNK1MKNK2L3MBTL1HDAC4
SCHEMBL10195702 0.82 L3MBTL3 (0.87) L3MBTL3L3MBTL1ALDH1A1EPHX2PDK2
SCHEMBL25498559 0.82 L3MBTL3 (0.87) L3MBTL3MKNK1MKNK2L3MBTL1ALDH1A1
SCHEMBL17271879 0.81 L3MBTL3 (0.84) L3MBTL3MKNK1MKNK2L3MBTL1ALDH1A1
SCHEMBL3399465 0.81 L3MBTL3 (0.84) L3MBTL3L3MBTL1HDAC4MEN1KMT2A
SCHEMBL26773746 0.81 L3MBTL3 (0.84) L3MBTL3L3MBTL1EPHX2HDAC4MEN1
SCHEMBL16825022 0.81 L3MBTL3 (0.79) L3MBTL3MKNK1MKNK2L3MBTL1HDAC4
SCHEMBL10215017 0.81 KDM1A (0.66) ALDH1A1EPHX2KDM1APDK1PDK2
SCHEMBL15285892 0.81 MKNK1 (0.80) L3MBTL3MKNK1MKNK2

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 L3MBTL3 1815/4885MKNK1 125/4885MKNK2 129/4885

“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.