SCHEMBL16627284

SCHEMBL16627284

COCCN1CCN(C(=O)c2ccc(C#N)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 8/20 0.68
DRD3 P35462 8/20 0.61
DRD2 P14416 6/20 0.61
NAMPT P43490 1/20 0.56
PDK1 Q15118 1/20 0.52
PDK2 Q15119 1/20 0.52
PDK3 Q15120 1/20 0.52
PDK4 Q16654 1/20 0.52
USP2 O75604 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
TSHR P16473 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL763421 0.83 KCNA5 (0.70) KCNA5DRD3DRD2NAMPT
SCHEMBL16256936 0.83 KCNA5 (0.59) KCNA5DRD3DRD2PDK1PDK2
SCHEMBL16358258 0.82 DRD3 (0.61) KCNA5DRD3DRD2NAMPTMEN1
SCHEMBL19145557 0.82 DRD3 (0.61) KCNA5DRD3DRD2NAMPT
SCHEMBL2222735 0.82 DRD3 (0.58) KCNA5DRD3DRD2NAMPT
SCHEMBL23775636 0.82 KCNA5 (0.62) KCNA5DRD3DRD2PDK1PDK2
SCHEMBL8408009 0.82 KCNA5 (0.56) KCNA5DRD3DRD2PDK1PDK2
SCHEMBL22221560 0.82 KCNA5 (0.58) KCNA5DRD2PDK1PDK2PDK3
SCHEMBL8386395 0.80 KCNA5 (0.57) KCNA5DRD3DRD2PDK1PDK2
SCHEMBL17886738 0.80 HPGD (0.65) KCNA5DRD3DRD2NAMPTTSHR

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 KCNA5 3986/4885DRD3 3299/4885DRD2 3157/4885

“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.