SCHEMBL16627277

SCHEMBL16627277

CN1CCN(Cc2ccc(C#N)cc2)C(=O)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 8/20 0.46
WDR77 Q9BQA1 8/20 0.46
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
KCNJ1 P48048 1/20 0.44
KCNH2 Q12809 1/20 0.44
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
ACACB O00763 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
COMT P21964 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2D6 P10635 1/20 0.40
CA2 P00918 1/20 0.40
TAS2R8 Q9NYW2 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
SCHEMBL25045251 0.85 KCNH2 (0.48) PRMT5WDR77FNTAFNTBKCNJ1
SCHEMBL15858059 0.81 LMNA (0.51) PRMT5WDR77MEN1TSHRKMT2A
SCHEMBL15858005 0.80 ALDH1A1 (0.53) MEN1KMT2A
SCHEMBL26548227 0.80 LMNA (0.56) KCNH2KMT2ACA2
SCHEMBL28866603 0.80 COMT (0.47) PRMT5WDR77FNTAFNTBKCNJ1
SCHEMBL12361201 0.80 L3MBTL1 (0.54) KCNH2MEN1CYP2C9TSHRKMT2A
SCHEMBL7436022 0.79 PRMT5 (0.55) PRMT5WDR77KCNJ1KCNH2MEN1
SCHEMBL15858013 0.78 GAA (0.54) MEN1CYP1A2KMT2A
SCHEMBL20576177 0.77 L3MBTL1 (0.64) PRMT5WDR77FNTAFNTBKCNJ1
SCHEMBL20505562 0.77 ACACB (0.60) PRMT5WDR77KCNJ1KCNH2ACACB

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 PRMT5 1607/4885WDR77 1449/4885FNTA 2052/4885

“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.