SCHEMBL16627285

SCHEMBL16627285

N#Cc1ccc(C(=O)N2CCN(C3CC3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 9/20 0.60
L3MBTL1 Q9Y468 7/20 0.60
MBTD1 Q05BQ5 4/20 0.58
TP53BP1 Q12888 1/20 0.58
L3MBTL4 Q8NA19 1/20 0.58
HRH3 Q9Y5N1 4/20 0.55
SLC6A4 P31645 1/20 0.55
ALDH1A1 P00352 2/20 0.55
PDK1 Q15118 1/20 0.54
PDK2 Q15119 1/20 0.54
PDK3 Q15120 1/20 0.54
PDK4 Q16654 1/20 0.54
EPHX2 P34913 1/20 0.54
KDM4E B2RXH2 2/20 0.54
POLB P06746 1/20 0.54
SLC6A7 Q99884 1/20 0.53

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
SCHEMBL1169201 0.87 L3MBTL3 (0.60) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
Hydrochloric Acid SCHEMBL1169797 0.86 L3MBTL3 (0.59) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL1169247 0.84 HRH3 (0.66) L3MBTL3L3MBTL1HRH3SLC6A4
SCHEMBL911564 0.82 MGLL (0.67) L3MBTL3L3MBTL1ALDH1A1KDM4EPOLB
SCHEMBL1376624 0.81 PDK1 (0.59) L3MBTL1ALDH1A1PDK1PDK2PDK3
SCHEMBL599473 0.80 HRH3 (0.59) L3MBTL3L3MBTL1HRH3SLC6A4ALDH1A1
SCHEMBL31387924 0.80 HPGD (0.68) L3MBTL1ALDH1A1PDK1PDK2PDK3
SCHEMBL31387922 0.80 HPGD (0.68) L3MBTL1ALDH1A1PDK1PDK2PDK3
SCHEMBL13503971 0.80 GRM5 (0.69) L3MBTL3ALDH1A1PDK1PDK2PDK3
SCHEMBL10215017 0.80 KDM1A (0.66) ALDH1A1PDK1PDK2PDK3PDK4

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 1815/4885L3MBTL1 1629/4885MBTD1 2608/4885

“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.