SCHEMBL6072024

SCHEMBL6072024

CCN1CCCC(c2nc3ccccc3c(N)c2C#N)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.46
DRD3 P35462 2/20 0.46
ADORA2A P29274 2/20 0.40
ACHE P22303 2/20 0.40
BCHE P06276 1/20 0.40
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
RAD52 P43351 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
IKBKB O14920 1/20 0.38

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
SCHEMBL6072028 0.83 DRD3 (0.46) DRD2DRD3ADORA2AKDM4EALDH1A1
SCHEMBL6071513 0.79 ACHE (0.45) ACHEBCHEKDM4EALDH1A1MAPK1
SCHEMBL6071957 0.76 NSD2 (0.51) ACHEBCHEKDM4EALDH1A1RAD52
SCHEMBL30624981 0.72 ADORA2A (0.43) DRD2DRD3ADORA2AKDM4EDRD1
SCHEMBL10644222 0.67 DRD2 (0.76) DRD2DRD3DRD1DRD4DRD5
SCHEMBL12125697 0.67 DRD2 (0.76) DRD2DRD3DRD1DRD4DRD5
SCHEMBL12125694 0.67 DRD2 (0.76) DRD2DRD3DRD1DRD4DRD5
SCHEMBL28887837 0.66 ACHE (0.49) ACHEBCHEKDM4EALDH1A1RAD52
SCHEMBL28398796 0.66 ACHE (0.49) ACHEBCHEKDM4EALDH1A1RAD52
SCHEMBL6252164 0.65 KDM4E (0.60) ADORA2AACHEKDM4EALDH1A1RAD52

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same WYETH (US) 2006-11-23 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-20060264460-A1 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same TNNI3K, CSNK1A1L, CDKL1 DRD2 4427/4885DRD3 4452/4885ADORA2A 2729/4885

“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.