SCHEMBL6957843

SCHEMBL6957843

CCOc1ccccc1C(=N)NN

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.53
ALDH1A1 P00352 4/20 0.47
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
MAPK1 P28482 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CTSD P07339 1/20 0.45
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
RAB9A P51151 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL6962004 0.87 MEN1 (0.48) HCRTR1ALDH1A1GAAMAPTMEN1
SCHEMBL6955280 0.85 KMT2A (0.54) ALDH1A1HSD17B10MAPTMEN1KMT2A
SCHEMBL2789851 0.84 HCRTR1 (0.54) HCRTR1ALDH1A1HPGDHSD17B10GAA
SCHEMBL6957621 0.83 MEN1 (0.62) ALDH1A1HSD17B10MAPTMAPK1MEN1
SCHEMBL6957859 0.83 MEN1 (0.62) ALDH1A1HSD17B10MAPTMAPK1MEN1
SCHEMBL2358299 0.81 HCRTR1 (0.73) HCRTR1ALDH1A1HPGDHSD17B10GAA
SCHEMBL6951987 0.80 CTSD (0.62) GAACTSDL3MBTL1KCNK3KCNK9
SCHEMBL2564929 0.80 HCRTR1 (0.53) HCRTR1ALDH1A1HPGDHSD17B10GAA
SCHEMBL6952466 0.80 NPC1 (0.55) ALDH1A1GAAMAPTMAPK1MEN1
Iodide SCHEMBL10754021 0.79 CTSD (0.61) GAACTSDL3MBTL1KCNK3KCNK9

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3625223-B1 PYRIMIDINE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-08-11 EP disclosed
EP-3625228-B1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-07 EP disclosed
WO-2013075680-A1 A METHOD FOR THE PREPARATION AND ISOLATION OF SALTS OF VARDENAFIL WITH ACIDS ZENTIVA, K.S. (CZ) 2013-05-30 WO disclosed
US-20130059844-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2013-03-07 US disclosed
US-20130059844-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2013-03-07 US disclosed
EP-2295436-A1 2-Phenyl-subsitituted Imidazotriazinones as Phosphodiesterase V inhibitors Bayer Schering Pharma AG (DE) 2011-03-16 EP disclosed
US-20110009367-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-13 US disclosed
US-20110009367-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-13 US disclosed
US-7704999-B2 2-phenyl substituted imidazotriazinones as phosphodiesterase inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-27 US disclosed
US-7704999-B2 2-phenyl substituted imidazotriazinones as phosphodiesterase inhibitors BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-27 US disclosed
US-20100016323-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-01-21 US disclosed
US-20080113972-A1 2-Phenyl substituted imidazotriazinones as phosphodiesterase inhibitors BAYER AKTIENGESELLSCHAFT (DE) 2008-05-15 US disclosed
US-20080113972-A1 2-Phenyl substituted imidazotriazinones as phosphodiesterase inhibitors BAYER AKTIENGESELLSCHAFT (DE) 2008-05-15 US disclosed
US-7314871-B2 2-phenyl substituted imidazotriazinones as phosphodiesterase inhibitors, for treatment of hypertension BAYER AKTIENGESELLSCHAFT (DE) 2008-01-01 US disclosed
US-7314871-B2 2-phenyl substituted imidazotriazinones as phosphodiesterase inhibitors, for treatment of hypertension BAYER AKTIENGESELLSCHAFT (DE) 2008-01-01 US disclosed
EP-0711762-B1 PROCESS FOR PRODUCING TETRAZOLE COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2003-08-06 EP disclosed
US-6277998-B1 REACTING 2-CYANO-4-OXO-4H-BENZOPYRAN COMPOUND WITH HYDROGEN SULFIDE AND THEN REACTING PROUDCT WITH ALKYL HALIDE; REACTING THE PRODUCT WITH HYDRAZINE OR ITS SALT AND THEN WITH NITROUS ACID COMPOUND TO OBTAIN TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-08-21 US disclosed
US-6191289-B1 REACTING A 4-OXO-4H-BENZOPYRAN GROUP SUBSTITUTED WITH AMIDE OR A PHENYL GROUP IN ITS 2 POSITION IS REACTED WITH ANHYDROUS HYDRAZINE OR SALT IN PRESENCE OF CATALYST FOLLOWED BY REACTING WITH NITROUS ACID OR SALT TO FORM TETRAZOLE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-02-20 US disclosed
US-5874593-A SULFUR CONTAINING AMIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-23 US disclosed
EP-0711762-A1 PROCESS FOR PRODUCING TETRAZOLE COMPOUND AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-05-15 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 (4 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-20100016323-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS PDE3A, PDE2A, PDE3B HCRTR1 4264/4885ALDH1A1 323/4885HPGD 46/4885
US-20080113972-A1 2-Phenyl substituted imidazotriazinones as phosphodiesterase inhibitors PDE3B, PDE3A, PDE2A HCRTR1 4122/4885ALDH1A1 670/4885HPGD 228/4885
US-20110009367-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS PDE3B, PDE3A, PDE2A HCRTR1 4122/4885ALDH1A1 670/4885HPGD 228/4885
US-20130059844-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS PDE3B, PDE3A, PDE2A HCRTR1 4122/4885ALDH1A1 670/4885HPGD 228/4885

“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.