SCHEMBL7242546

SCHEMBL7242546

Cn1ncc2c1-c1c(csc1S(C)(=O)=O)CC2

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.47
DRD4 P21917 5/20 0.47
CCNC P24863 3/20 0.40
CDK8 P49336 3/20 0.40
CDK19 Q9BWU1 3/20 0.40
BRAF P15056 1/20 0.30
MAPK3 P27361 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL7248682 0.76 DRD4 (0.52) DRD2DRD4CCNCCDK8CDK19
SCHEMBL7242612 0.75 DRD4 (0.51) DRD2DRD4CCNCCDK8CDK19
SCHEMBL13085158 0.75 DRD2 (0.50) DRD2DRD4CCNCCDK8CDK19
SCHEMBL7091310 0.71 CCNC (0.50) DRD2DRD4CCNCCDK8CDK19
SCHEMBL15104852 0.68 CCNC (0.47) DRD2DRD4CCNCCDK8CDK19
SCHEMBL2831893 0.67 DRD2 (0.47) DRD2DRD4CCNCCDK8CDK19
SCHEMBL8027345 0.64 DRD4 (1.00) DRD2DRD4CCNCCDK8CDK19
Hydrochloric Acid SCHEMBL8022012 0.63 DRD4 (0.97) DRD2DRD4CCNCCDK8CDK19
SCHEMBL21614788 0.62 DRD2 (0.49) DRD2DRD4CCNCCDK8CDK19
SCHEMBL9212631 0.61 DRD4 (0.55) DRD2DRD4CCNCCDK8CDK19

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-20030158245-A1 Fused heterocyclic derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-08-21 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-20030158245-A1 Fused heterocyclic derivatives, their production and use TST, STS, AHR DRD2 616/4885DRD4 567/4885CCNC 2012/4885

“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.