SCHEMBL5261871

SCHEMBL5261871

CCCn1c(=O)n2cnnc2c2[nH]c(-c3ccccc3OCC)cc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 12/20 0.43
ADORA2A P29274 11/20 0.43
ADORA1 P30542 4/20 0.43
ADORA3 P0DMS8 1/20 0.43
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
PDE1C Q14123 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
USP2 O75604 1/20 0.42
PDE5A O76074 4/20 0.42

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
SCHEMBL5262345 0.93 PDE5A (0.43) ADORA2BADORA2AADORA1ADORA3KDM4E
SCHEMBL5262024 0.85 PDE5A (0.42) ADORA2BADORA2AADORA1ADORA3PDE1A
SCHEMBL5827290 0.82 ADORA1 (0.58) ADORA2BADORA2AADORA1PDE1APDE1B
SCHEMBL5830586 0.81 PDE5A (0.59) PDE1APDE1BPDE1CPDE5A
SCHEMBL6305525 0.81 ADORA2B (0.55) ADORA2BADORA2AADORA1ADORA3KDM4E
SCHEMBL5830233 0.80 PDE5A (0.52) ADORA1ADORA3PDE1APDE1BPDE1C
SCHEMBL5263935 0.79 PDE5A (0.41) PDE5A
SCHEMBL5260190 0.78 PDE5A (0.54) PDE1APDE1BPDE1CPDE5A
SCHEMBL5262563 0.77 ADORA2B (0.52) ADORA2BADORA2AADORA1ADORA3PDE1A
SCHEMBL7016108 0.77 PDE5A (0.41) ADORA2BADORA2AADORA1PDE1APDE1B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1307458-B1 PYRROLOTRIAZOLOPYRIMIDINONE DERIVATIVES ALMIRALL LAB (ES) 2007-10-03 EP disclosed
US-7060824-B2 Pyrrolotriazolopyrimidinone derivatives ALMIRALL PRODESFARMA, S.A. (ES) 2006-06-13 US disclosed
US-20040019034-A1 Pyrrolotriazolopyrimidinone derivatives VIDAL JUAN BERNAT (ES) 2004-01-29 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-20040019034-A1 Pyrrolotriazolopyrimidinone derivatives PDE5A, PDE3A, PDE2A ADORA2B 1014/4885ADORA2A 847/4885ADORA1 1084/4885

“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.