SCHEMBL5742953

SCHEMBL5742953

CCCn1c(=O)[nH]c(=O)c2cn(-c3ccccc3)nc21

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.53
ADORA2A P29274 8/20 0.51
ADORA2B P29275 4/20 0.51
PDE4A P27815 5/20 0.48
PDE4B Q07343 5/20 0.48
PDE4C Q08493 5/20 0.48
PDE4D Q08499 5/20 0.48
ADORA1 P30542 2/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
BLM P54132 1/20 0.48
PDE3A Q14432 1/20 0.48
ALDH1A1 P00352 2/20 0.43
CTDSP1 Q9GZU7 1/20 0.42
TPH1 P17752 2/20 0.41
TPH2 Q8IWU9 2/20 0.41

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
SCHEMBL5739462 0.80 ADORA3 (0.56) ADORA3ADORA2AADORA2BPDE4APDE4B
SCHEMBL5740117 0.76 ADORA3 (0.52) ADORA3ADORA2AADORA2BADORA1ALDH1A1
SCHEMBL5740691 0.74 ADORA3 (0.50) ADORA3ADORA2AADORA2BADORA1HSD17B10
SCHEMBL11181037 0.73 ALDH1A1 (0.52) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL5741533 0.71 ADORA1 (0.50) ADORA3ADORA2AADORA2BPDE4APDE4B
SCHEMBL5511769 0.69 ADORA3 (1.00) ADORA3ADORA2AADORA1HPGDHSD17B10
SCHEMBL7607643 0.68 PDE4A (0.74) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL9765885 0.68 ADORA2B (1.00) ADORA3ADORA2AADORA2BADORA1HPGD
SCHEMBL5741099 0.68 ADORA2B (0.41) ADORA3ADORA2AADORA2BPDE4APDE4B
SCHEMBL31714719 0.66 ADORA3 (0.56) ADORA3ADORA1

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 ADORA3 275/4885ADORA2A 1417/4885ADORA2B 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.