SCHEMBL5741729

SCHEMBL5741729

CCCn1c(=O)nc(SC)c2nn(C3CCCC3)cc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.39
CTSK P43235 4/20 0.38
ADORA2B P29275 5/20 0.34
ADORA1 P30542 3/20 0.31
ADORA3 P0DMS8 2/20 0.31
MEN1 O00255 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
TSHR P16473 1/20 0.31
PMP22 Q01453 1/20 0.31
KMT2A Q03164 1/20 0.31
HIF1A Q16665 1/20 0.31
CNR2 P34972 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
SCHEMBL5742960 0.81 ADORA2A (0.39) ADORA2ACTSKADORA2BADORA1ADORA3
SCHEMBL5741833 0.75 ADORA1 (0.44) ADORA2ACTSKADORA2BADORA1ADORA3
SCHEMBL5741805 0.73 ADORA3 (0.53) ADORA2AADORA2BADORA1ADORA3
SCHEMBL5231865 0.67 ADORA2A (0.64) ADORA2AADORA2BADORA1ADORA3MEN1
SCHEMBL5741322 0.66 PDE5A (0.46) ADORA2AADORA2BADORA1ADORA3
SCHEMBL5227169 0.64 ADORA1 (0.65) ADORA2AADORA2BADORA1ADORA3MEN1
SCHEMBL6093638 0.63 ADORA1 (0.65) ADORA2AADORA2BADORA1ADORA3MEN1
SCHEMBL5741533 0.63 ADORA1 (0.50) ADORA2ACTSKADORA2BADORA1ADORA3
SCHEMBL6093414 0.61 ADORA1 (0.61) ADORA2AADORA2BADORA1ADORA3MEN1
SCHEMBL5742210 0.60 ADORA2B (0.60) ADORA2AADORA2BADORA1ADORA3MEN1

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-20060252780-A1 Fused pyrimidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-11-09 US disclosed
EP-1637532-A1 FUSED PYRIMIDINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-03-22 EP 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-20060252780-A1 Fused pyrimidine derivatives INSR, GPR119, NPY4R ADORA2A 1417/4885CTSK 4529/4885ADORA2B 1074/4885

“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.