SCHEMBL12376554

SCHEMBL12376554

[C-]#[N+]c1c(N2CC(O)C2)nc(SCc2coc(-c3ccc(C)cc3)n2)c(C#N)c1-c1nccs1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 12/20 0.38
DCUN1D1 Q96GG9 6/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
HRH1 P35367 1/20 0.33
RET P07949 1/20 0.32
UBE2M P61081 1/20 0.31
DCUN1D2 Q6PH85 1/20 0.31
DCUN1D3 Q8IWE4 1/20 0.31
DCUN1D4 Q92564 1/20 0.31
DCUN1D5 Q9BTE7 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL12410900 0.92 ADORA1 (0.43) ADORA1DCUN1D1DRD2HTR2AHRH1
SCHEMBL7999964 0.85 ADORA1 (0.43) ADORA1RETSLC6A3
SCHEMBL12376557 0.81 ADORA1 (0.51) ADORA1SLC6A3
SCHEMBL12409163 0.80 ADORA1 (0.51) ADORA1DCUN1D1SLC6A3
SCHEMBL12376551 0.79 NPC1 (0.39) ADORA1RETSLC6A3
SCHEMBL12376494 0.79 NPC1 (0.42) ADORA1DCUN1D1DRD2HTR2AHRH1
SCHEMBL12376570 0.78 ADORA1 (0.38) ADORA1SLC6A3
SCHEMBL12376539 0.78 ADORA1 (0.46) ADORA1RETSLC6A3
SCHEMBL12535544 0.78 ADORA1 (0.49) ADORA1SLC6A3
SCHEMBL12376553 0.75 ADORA1 (0.40) ADORA1DCUN1D1RETSLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426602-B2 Heteroaryl-substituted dicyanopyridines and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-04-23 US disclosed
US-20110207698-A1 HETEROARYL-SUBSTITUTED DICYANOPYRIDINES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-25 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-20110207698-A1 HETEROARYL-SUBSTITUTED DICYANOPYRIDINES AND THEIR USE QDPR, TNNI3, SDHA ADORA1 3151/4885DCUN1D1 1655/4885DRD2 1149/4885

“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.