SCHEMBL3019752

SCHEMBL3019752

CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1nc2[nH]cc(C)c2c(=O)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 19/20 0.57
▸ PDE1A P54750 2/20 0.56
▸ PDE1B Q01064 2/20 0.56
▸ PDE1C Q14123 2/20 0.56
▸ PDE2A O00408 1/20 0.52
▸ ABCC4 O15439 1/20 0.52
▸ ABCC5 O15440 1/20 0.52
▸ PDE6D O43924 1/20 0.52
▸ PDE8A O60658 1/20 0.52
▸ PDE9A O76083 1/20 0.52
▸ ABCB11 O95342 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ HTR1A P08908 1/20 0.52
▸ PDE6A P16499 1/20 0.52
▸ PDE6G P18545 1/20 0.52
▸ PDE4A P27815 1/20 0.52
▸ ADORA2A P29274 1/20 0.52
▸ ADORA1 P30542 1/20 0.52
▸ ADRA1A P35348 1/20 0.52
▸ PDE6B P35913 1/20 0.52

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
SCHEMBL3023703 0.87 PDE5A (0.51) PDE5APDE1APDE1BPDE1CPDE2A
SCHEMBL3023423 0.82 PDE5A (0.63) PDE5APDE1APDE1BPDE1CCA12
SCHEMBL973597 0.78 PDE5A (0.77) PDE5APDE1APDE1BPDE1CPDE2A
SCHEMBL8259092 0.76 PDE5A (0.84) PDE5APDE1APDE1BPDE1CPDE2A
SCHEMBL7163148 0.75 PDE5A (0.60) PDE5APDE1APDE1BPDE1CPDE2A
SCHEMBL3836975 0.75 PDE5A (0.76) PDE5APDE1APDE1BPDE1CPDE6C
SCHEMBL3027816 0.74 PDE5A (0.59) PDE5APDE1APDE1BPDE1C
SCHEMBL3031282 0.74 PDE5A (0.66) PDE5APDE1APDE1BPDE1CPDE2A
SCHEMBL3012495 0.73 PDE5A (0.74) PDE5APDE1APDE1BPDE1CPDE2A
SCHEMBL8212441 0.73 PDE5A (0.86) PDE5APDE1APDE1BPDE1CPDE2A

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
US-8461165-B2 2-Substituted phenyl-5,7-dihydrocarbyl-3,7-dihydropyrrolo[2,3-d] pyrimidin-4-one derivatives, the preparation and the pharmaceutical use thereof YANGTZE RIVER PHARMACEUTICAL (GROUP) CO., LTD (CN) 2013-06-11 — — US disclosed
US-20100204223-A1 2-Substituted phenyl-5,7-dihydrocarbyl-3,7-dihydropyrrolo[2,3-d] pyrimidin-4-one derivatives, the preparation and the pharmaceutical use thereof YANGTZE RIVER PHARMACEUTICAL (GROUP) CO., LTD. (CN) 2010-08-12 — — US disclosed
US-20060173025-A1 2-Substituted phenyl-5,7-dialkyl-3,7-dihydropyrrole [2,3-d]pyrimidine-4-one derivatives, the preparation and the pharmaceutical use thereof YANGTZE RIVER PHARMACEUTICAL (GROUP) CO., LTD. (CN) 2006-08-03 — — 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 (2 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-20060173025-A1 2-Substituted phenyl-5,7-dialkyl-3,7-dihydropyrrole [2,3-d]pyrimidine-4-one derivatives, the preparation and the pharmaceutical use thereof PDE5A, PDE3B, PDE2A PDE5A 1/4885PDE1A 37/4885PDE1B 24/4885
US-20100204223-A1 2-Substituted phenyl-5,7-dihydrocarbyl-3,7-dihydropyrrolo[2,3-d] pyrimidin-4-one derivatives, the preparation and the pharmaceutical use thereof PDE5A, PDE3A, PDE2A PDE5A 1/4885PDE1A 23/4885PDE1B 25/4885

“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.

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