SCHEMBL5263080

SCHEMBL5263080

CCCOc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1-c1[nH]c2c(c1Cl)n(CCC)c(=O)n1cnnc21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.47
TSHR P16473 2/20 0.43
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
POLB P06746 3/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PARP1 P09874 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL5261431 0.96 PDE5A (0.52) PDE5ATSHRCA12CA9KMT2A
SCHEMBL5263112 0.92 PDE5A (0.51) PDE5ATSHRCA12CA9KMT2A
SCHEMBL5261527 0.90 PDE5A (0.45) PDE5ACA12CA9PARP1
SCHEMBL5830971 0.89 PDE5A (0.57) PDE5ATSHRCA12CA9KMT2A
SCHEMBL5261002 0.87 CA12 (0.40) PDE5ACA12CA9
SCHEMBL5261737 0.87 ADORA1 (0.43) PDE5A
SCHEMBL5827644 0.86 PDE5A (0.55) PDE5ATSHRCA12CA9POLB
SCHEMBL5261074 0.85 PDE5A (0.36) PDE5A
SCHEMBL5827830 0.85 PDE5A (0.55) PDE5ATSHRCA12CA9POLB
SCHEMBL5260498 0.84 PDE5A (0.52) PDE5ATSHRCA12CA9POLB

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 PDE5A 1/4885TSHR 3190/4885CA12 4544/4885

“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.