SCHEMBL3029660

SCHEMBL3029660

CCCn1cc(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCN4CCOCC4)ccc3OCC)nc21

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 17/20 0.64
CA12 O43570 1/20 0.55
CA9 Q16790 1/20 0.55
PDE1A P54750 2/20 0.49
PDE1B Q01064 1/20 0.49
PDE1C Q14123 1/20 0.49
ALDH1A1 P00352 2/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 1/20 0.47
PDE2A O00408 1/20 0.45
PDE9A O76083 1/20 0.45
PDE4A P27815 1/20 0.45
PDE6C P51160 1/20 0.45
PDE11A Q9HCR9 1/20 0.45
PDE10A Q9Y233 1/20 0.45

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
SCHEMBL3017892 0.96 PDE5A (0.65) PDE5ACA12CA9PDE1APDE1B
SCHEMBL3023331 0.93 PDE5A (0.62) PDE5ACA12CA9PDE1APDE1B
SCHEMBL3028372 0.93 PDE5A (0.63) PDE5ACA12CA9PDE1APDE1B
SCHEMBL3027989 0.89 PDE5A (0.53) PDE5APDE1APDE1BPDE1CPDE2A
SCHEMBL3023423 0.86 PDE5A (0.63) PDE5ACA12CA9PDE1APDE1B
SCHEMBL3547443 0.86 PDE5A (0.57) PDE5APDE1APDE1BPDE1CPDE2A
SCHEMBL3027973 0.85 PDE5A (0.62) PDE5ACA12CA9PDE1APDE1B
SCHEMBL3386997 0.83 PDE5A (0.49) PDE5ACA12CA9ALDH1A1TSHR
SCHEMBL3027812 0.82 PDE5A (0.48) PDE5APDE1APDE1BPDE1CPDE2A
SCHEMBL13348812 0.82 PDE5A (0.55) 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 11 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
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 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 1/4885CA12 4847/4885CA9 3902/4885
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 1/4885CA12 4883/4885CA9 4462/4885
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 1/4885CA12 4861/4885CA9 3877/4885

“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.