SCHEMBL16616771

SCHEMBL16616771

CC(NC(=O)c1ccc(C#N)cc1)C1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 5/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
PRSS1 P07477 2/20 0.47
CTSG P08311 2/20 0.47
CTRB1 P17538 2/20 0.47
CMA1 P23946 2/20 0.47
P2RY14 Q15391 1/20 0.46
IDO1 P14902 1/20 0.44
KCNH2 Q12809 1/20 0.44
NAMPT P43490 2/20 0.44
SMYD3 Q9H7B4 3/20 0.43
ESR1 P03372 1/20 0.41
XDH P47989 1/20 0.41

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
SCHEMBL24018262 0.78 IDO1 (0.54) EGLN1MEN1KMT2ANPC1RAB9A
SCHEMBL20910233 0.78 EGLN1 (0.50) EGLN1MEN1KMT2APRSS1CTSG
SCHEMBL19126490 0.77 SCN1A (0.42) IDO1NAMPTSMYD3
SCHEMBL12783210 0.76 MEN1 (0.67) EGLN1MEN1KMT2ANPC1RAB9A
SCHEMBL16616596 0.75 OPRD1 (0.44) NPC1RAB9AP2RY14
SCHEMBL24018384 0.75 IDO1 (0.59) EGLN1MEN1KMT2ANPC1RAB9A
SCHEMBL24018056 0.75 IDO1 (0.59) EGLN1MEN1KMT2ANPC1RAB9A
SCHEMBL17865784 0.75 CNR2 (0.57) NPC1RAB9ANAMPTSMYD3
SCHEMBL23664139 0.74 EGLN1 (0.41) EGLN1MEN1KMT2ANPC1RAB9A
SCHEMBL20909647 0.74 EGLN1 (0.41) EGLN1MEN1KMT2ANPC1RAB9A

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 EGLN1 513/4885MEN1 4679/4885KMT2A 1300/4885

“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.