SCHEMBL3018906

SCHEMBL3018906

CCCn1cc(CN2CCOCC2)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CC)CC4)ccc3OCC)nc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.59
PDE1A P54750 3/20 0.58
PDE1B Q01064 3/20 0.58
PDE1C Q14123 3/20 0.58
PDE6A P16499 2/20 0.53
PDE2A O00408 1/20 0.53
PDE6D O43924 1/20 0.53
PDE9A O76083 1/20 0.53
CHRM2 P08172 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
PDE6G P18545 1/20 0.53
MAOA P21397 1/20 0.53
PDE4A P27815 1/20 0.53
ADORA1 P30542 1/20 0.53
ADRA1A P35348 1/20 0.53
PDE6B P35913 1/20 0.53
PDE6C P51160 1/20 0.53
SLC6A3 Q01959 1/20 0.53
PDE4B Q07343 1/20 0.53
PDE4C Q08493 1/20 0.53

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
SCHEMBL3019452 0.92 PDE5A (0.65) PDE5APDE1APDE1BPDE1CPDE6A
SCHEMBL3023136 0.89 PDE5A (0.51) PDE5APDE1APDE1BPDE1CPDE6C
Tunodafil SCHEMBL3018511 0.87 PDE5A (0.65) PDE5APDE1APDE1BPDE1CPDE6A
SCHEMBL3017880 0.87 PDE5A (0.65) PDE5APDE6CPDE11A
Tunodafil SCHEMBL3023706 0.87 PDE5A (0.65) PDE5APDE1APDE1BPDE1CPDE6A
Tunodafil SCHEMBL3011726 0.87 PDE5A (0.65) PDE5APDE1APDE1BPDE1CPDE6A
SCHEMBL3023423 0.86 PDE5A (0.63) PDE5APDE1APDE1BPDE1C
SCHEMBL3026577 0.86 PDE5A (0.74) PDE5APDE1APDE1BPDE1CPDE6A
SCHEMBL3029572 0.82 PDE5A (0.65) PDE5APDE1APDE1BPDE1CPDE6C
SCHEMBL3012186 0.82 PDE5A (0.60) PDE5APDE1APDE1BPDE1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1634883-B1 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 G (CN) 2010-12-15 EP claimed
US-7745433-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 Pharmacuetical (Group) Co., Ltd. (CN) 2010-06-29 US claimed
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 claimed
EP-1634883-A1 2-SUBSTITUTED PHENYL-5,7-DIALKYL-3,7-DIHYDROPYRROLE[2,3-D]PYRIMIDINE-4-ONE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF Tianjin Tasly Group Co., Ltd. (CN) 2006-03-15 EP claimed
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-7745433-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 Pharmacuetical (Group) Co., Ltd. (CN) 2010-06-29 US disclosed
US-7741483-B2 Process for making substituted pyrrolo[2,3-d]pyrimidine derivatives as inhibitors of phosphodiesterase 5 YANGTZE RIVER PHARMACEUTICAL (GROUP) CO., LTD. (CN) 2010-06-22 US disclosed
US-20080167462-A1 2-substituted phenyl-5, 7-dehydrocarbyl-3, 7-dihydropyrrolo [2, 3-d] pyrimidin-4-one derivatives, the preparation and the pharmaceutical use thereof TIANJIN TASLY GROUP CO., LTD (CN) 2008-07-10 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 (3 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-20080167462-A1 2-substituted phenyl-5, 7-dehydrocarbyl-3, 7-dihydropyrrolo [2, 3-d] pyrimidin-4-one derivatives, the preparation and the pharmaceutical use thereof PDE5A, PDE3B, PDE2A PDE5A 1/4885PDE1A 28/4885PDE1B 27/4885
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.