SCHEMBL12409394

SCHEMBL12409394

Cc1ccc(-c2nc(CSc3nc(N)c(C#N)c(-c4cccs4)c3C#N)cs2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 14/20 0.73
ALDH1A1 P00352 5/20 0.66
MAPT P10636 4/20 0.66
KDM4E B2RXH2 3/20 0.66
MEN1 O00255 3/20 0.66
HPGD P15428 3/20 0.66
KMT2A Q03164 3/20 0.66
NPSR1 Q6W5P4 3/20 0.66
HTT P42858 3/20 0.66
TP53 P04637 1/20 0.66
SMN1; SMN2 Q16637 2/20 0.63
LMNA P02545 1/20 0.63
TSHR P16473 1/20 0.63
MAPK10 P53779 1/20 0.63
HSD17B10 Q99714 1/20 0.63
PKM P14618 1/20 0.62
RET P07949 1/20 0.58
GAA P10253 1/20 0.57
STAT6 P42226 1/20 0.57
HIF1A Q16665 1/20 0.57

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
SCHEMBL2285749 0.91 ADORA1 (0.75) ADORA1ALDH1A1MAPTKDM4EMEN1
SCHEMBL1028666 0.86 ALDH1A1 (0.80) ADORA1ALDH1A1MAPTKDM4EMEN1
SCHEMBL14464140 0.85 ADORA1 (0.64) ADORA1ALDH1A1MAPTKDM4EMEN1
SCHEMBL12376578 0.83 ADORA1 (0.63) ADORA1ALDH1A1MAPTKDM4EMEN1
SCHEMBL12410240 0.83 ADORA1 (0.75) ADORA1RETSLC6A3
SCHEMBL21134571 0.82 ADORA1 (0.73) ADORA1ALDH1A1KDM4EHPGDNPSR1
SCHEMBL13998935 0.81 ADORA1 (0.85) ADORA1SLC6A3
SCHEMBL12409395 0.81 ADORA1 (0.67) ADORA1RETSLC6A3
SCHEMBL4428654 0.80 ADORA1 (0.67) ADORA1ALDH1A1MAPTKDM4EMEN1
SCHEMBL1177766 0.80 ADORA1 (0.84) ADORA1RETSLC6A3

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-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 3151/4885ALDH1A1 2170/4885MAPT 4142/4885

“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.