SCHEMBL5741322

SCHEMBL5741322

CCCn1c(=O)n(Cc2ccc(OC)cc2)c(=O)c2nn(C3CCCC3)cc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.46
ADORA3 P0DMS8 5/20 0.45
ADORA1 P30542 2/20 0.45
ADORA2A P29274 5/20 0.43
ADORA2B P29275 3/20 0.41
PDE1A P54750 4/20 0.41
PDE1B Q01064 4/20 0.41
PDE1C Q14123 4/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
BLM P54132 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40

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
SCHEMBL5740742 0.86 ADORA3 (0.48) PDE5AADORA3ADORA1ADORA2AADORA2B
SCHEMBL5739685 0.77 PDE5A (0.41) PDE5AADORA3ADORA1ADORA2AADORA2B
SCHEMBL5742504 0.71 ALDH1A1 (0.55) PDE5APDE1APDE1BPDE1CNPSR1
SCHEMBL8576951 0.69 ADORA3 (0.61) PDE5AADORA3ADORA1ADORA2AADORA2B
SCHEMBL14927363 0.68 PDE1A (0.54) ADORA3ADORA1ADORA2AADORA2BPDE1A
SCHEMBL30134302 0.67 ALDH1A1 (0.44) PDE1APDE1BPDE1CMAPK1NPSR1
SCHEMBL30134222 0.67 HSP90AA1 (0.40) PDE5APDE1APDE1BPDE1C
SCHEMBL12963694 0.66 HDAC1 (0.67) ADORA3ADORA1PDE1APDE1BPDE1C
SCHEMBL5741729 0.66 ADORA2A (0.39) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL5740121 0.66 PDE5A (0.45) PDE5AADORA3ADORA1PDE1APDE1B

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 PDE5A 1470/4885ADORA3 275/4885ADORA1 1052/4885

“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.