SCHEMBL3033714

SCHEMBL3033714

CCOc1ccccc1C(=O)Nc1[nH]cc(C)c1C#N

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.53
POLB P06746 1/20 0.52
MAPT P10636 4/20 0.50
MAPK1 P28482 2/20 0.50
GAA P10253 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HCRTR1 O43613 2/20 0.49
KCNMA1 Q12791 1/20 0.48
TP53 P04637 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KCNK3 O14649 2/20 0.47
KCNK9 Q9NPC2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
ALOX15 P16050 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL3018829 0.81 MEN1 (0.53) RXFP1POLBMAPTMAPK1GAA
SCHEMBL16229403 0.76 ALDH1A1 (0.52) RXFP1POLBMAPTMAPK1GAA
SCHEMBL3023896 0.74 MAPT (0.49) RXFP1MAPTMAPK1GAAMEN1
SCHEMBL4433924 0.72 MAPT (0.74) RXFP1POLBMAPTMAPK1GAA
SCHEMBL5504642 0.70 MEN1 (0.83) RXFP1MAPTMAPK1GAAMEN1
SCHEMBL16829424 0.70 HCRTR1 (0.81) POLBMAPTMAPK1GAAMEN1
SCHEMBL15323115 0.69 GAA (0.78) RXFP1POLBMAPTMAPK1GAA
SCHEMBL15528427 0.69 RXFP1 (1.00) RXFP1MAPTMAPK1GAAMEN1
SCHEMBL7959716 0.68 HCRTR1 (0.73) RXFP1MAPTMAPK1GAAMEN1
SCHEMBL6400854 0.68 HCRTR1 (0.73) RXFP1MAPTMAPK1GAAMEN1

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 13 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-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
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 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-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-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-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-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 RXFP1 1186/4885POLB 2131/4885MAPT 4551/4885
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 RXFP1 639/4885POLB 704/4885MAPT 4606/4885
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 RXFP1 868/4885POLB 2175/4885MAPT 4286/4885

“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.