SCHEMBL12907884

SCHEMBL12907884

[C-]#[N+]c1c(N)nc(SCc2csc(C(C)C)n2)c(C#N)c1-c1ccc(OC2CCOC2)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 19/20 0.43
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL12943220 0.92 ADORA1 (0.51) ADORA1KDM4EUSP2ALDH1A1LMNA
SCHEMBL12907883 0.89 ADORA1 (0.55) ADORA1SLC6A3
SCHEMBL923720 0.81 ADORA1 (0.65) ADORA1SLC6A3
SCHEMBL12907888 0.81 ADORA1 (0.54) ADORA1SLC6A3
SCHEMBL12907808 0.79 CHEK1 (0.41) ADORA1KDM4EUSP2ALDH1A1LMNA
SCHEMBL12907885 0.79 ADORA1 (0.60) ADORA1
SCHEMBL12907866 0.78 ADORA1 (0.60) ADORA1SLC6A3
SCHEMBL12907880 0.78 ADORA1 (0.47) ADORA1SLC6A3
SCHEMBL12907876 0.77 ADORA1 (0.44) ADORA1KDM4EALDH1A1MAPTHPGD
SCHEMBL12907877 0.74 ADORA1 (0.46) ADORA1

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-20110021487-A1 CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND THEIR USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 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-20110021487-A1 CYCLOALKOXY-SUBSTITUTED 4-PHENYL-3,5-DICYANOPYRIDINES AND THEIR USE PC, DPP4, FABP3 ADORA1 3492/4885KDM4E 1690/4885USP2 3619/4885

“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.