SCHEMBL5483601

SCHEMBL5483601

COc1c(-c2ccccc2)nc(N)c(C#N)c1OC

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 13/20 0.58
ADORA2A P29274 13/20 0.58
ADORA2B P29275 2/20 0.56
HSD17B10 Q99714 4/20 0.55
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HPGD P15428 2/20 0.49
CASP1 P29466 1/20 0.49
BLM P54132 1/20 0.49
ADRA2A P08913 1/20 0.49
HTT P42858 1/20 0.49
MAPT P10636 1/20 0.47

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
SCHEMBL31636814 0.77 POLB (0.56) ADORA1ADORA2AADORA2BHSD17B10KDM4E
SCHEMBL5483521 0.76 KDM4E (0.64) ADORA1ADORA2AHSD17B10KDM4EALDH1A1
SCHEMBL5483588 0.74 SQOR (0.54) ADORA1ADORA2AADORA2BHSD17B10KDM4E
SCHEMBL28383673 0.73 KDM4E (0.66) ADORA1ADORA2AHSD17B10KDM4EALDH1A1
SCHEMBL6440715 0.73 ADORA1 (0.72) ADORA1ADORA2AADORA2B
SCHEMBL31139648 0.72 ADORA2A (0.53) ADORA1ADORA2AADORA2BHSD17B10KDM4E
SCHEMBL5480727 0.72 ADORA2A (0.54) ADORA1ADORA2AADORA2BKDM4EALDH1A1
SCHEMBL3369169 0.72 ADORA1 (0.71) ADORA1ADORA2AADORA2BHSD17B10KDM4E
SCHEMBL15840888 0.71 ADORA1 (0.64) ADORA1ADORA2AADORA2BHSD17B10
SCHEMBL27886268 0.71 KDM4E (0.60) ADORA1ADORA2AADORA2BHSD17B10KDM4E

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-20070287738-A1 Substituted Cyanopyridines as protein kinase inhibitors WYETH 2007-12-13 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-20070287738-A1 Substituted Cyanopyridines as protein kinase inhibitors CNKSR1, MAP3K1, MAP3K6 ADORA1 671/4885ADORA2A 1009/4885ADORA2B 1635/4885

“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.