SCHEMBL688062

SCHEMBL688062

Cc1nc(C(N)=O)sc1-c1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 7/20 0.46
DBF4 Q9UBU7 6/20 0.46
CCNE1 P24864 2/20 0.46
CDK2 P24941 2/20 0.46
CCNC P24863 3/20 0.41
CDK8 P49336 3/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
LMNA P02545 1/20 0.40
IKBKE Q14164 1/20 0.40
TBK1 Q9UHD2 1/20 0.40
MAP2K3 P46734 2/20 0.40
MAPK14 Q16539 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL5736185 0.85 CDC7 (0.46) CDC7DBF4CYP1A2CYP3A4CYP2C19
SCHEMBL10365452 0.83 CYP3A4 (0.38) CDC7DBF4CCNE1CDK2CYP1A2
SCHEMBL10365732 0.83 CDC7 (0.51) CDC7DBF4CCNCCDK8CYP1A2
Hydrochloric Acid SCHEMBL10365286 0.83 CDC7 (0.40) CDC7DBF4CCNE1CDK2CYP1A2
SCHEMBL2958703 0.81 PIK3CD (0.59) MAPTMEN1NPC1CASP3RAB9A
SCHEMBL10365699 0.81 CDC7 (0.45) CDC7DBF4CCNE1CDK2MAPK14
SCHEMBL10365735 0.81 CDC7 (0.39) CDC7DBF4CCNE1CDK2CYP1A2
SCHEMBL3156596 0.80 CCNC (0.46) CCNCCDK8TBK1MAPK14PIK3CD
SCHEMBL10366994 0.79 SIRT3 (0.47) CDC7DBF4CCNE1CDK2CCNC
SCHEMBL3164908 0.79 IKBKB (0.38) MEN1NPC1CASP3RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179152-A1 Novel use for PDE5 inhibitors NYCOMED GMBH (DE) 2010-07-15 US claimed
EP-1740183-B1 NOVEL USE FOR PDE5 INHIBITORS NYCOMED GMBH (DE) 2009-10-14 EP claimed
US-20070185114-A1 Novel use for pde5 inhibitors ALTANA PHARMA AG (DE) 2007-08-09 US claimed
JP-2006528229-A 2006-12-14 JP claimed
US-20060148693-A1 Composition comprising a pulmonary surfactant and a pde5 inhibitor for the treatment of lung diseases ALTANA PHARMA AG (DE) 2006-07-06 US claimed
US-20060094723-A1 Composition comprising a pde4 inhibitor and a pde5 inhibitor NYCOMED GMBH (DE) 2006-05-04 US claimed
EP-1638567-A1 COMPOSITION COMPRISING A PULMONARY SURFACTANT AND A PDE5 INHIBITOR FOR THE TREATMENT OF LUNG DISEASES ALTANA Pharma AG (DE) 2006-03-29 EP claimed
EP-1628682-A2 COMPOSITION COMPRISING A PDE4 INHIBITOR AND A PDE5 INHIBITOR ALTANA Pharma AG (DE) 2006-03-01 EP claimed
US-20050107394-A1 for the treatment of respiratory failure in patients showing a mismatch of pulmonary ventilation and pulmonary perfusion; e.g. 3-ethyl-8-[2-(4-morpholinylmethyl)benzylamino]-2,3-dihydro-1H-imidazo[4,5-g]quinazoline-2-thione GHOFRANI ARDESCHIR (DE) 2005-05-19 US claimed
WO-2004110450-A1 COMPOSITION COMPRISING A PULMONARY SURFACTANT AND A PDE5 INHIBITOR FOR THE TREATMENT OF LUNG DISEASES ALTANA PHARMA AG (DE) 2004-12-23 WO claimed
WO-2004103407-A2 COMPOSITION COMPRISING A PDE4 INHIBITOR AND A PDE5 INHIBITOR ALTANA PHARMA AG (DE) 2004-12-02 WO claimed
EP-1461022-A2 USE OF SELECTIVE PDE5 INHIBITORS FOR TREATING PARTIAL AND GLOBAL RESPIRATORY FAILURE ALTANA Pharma AG (DE) 2004-09-29 EP claimed
WO-2003051346-A2 USE OF SELECTIVE PDE5 INHIBITORS FOR TREATING PARTIAL AND GLOBAL RESPIRATORY FAILURE ALTANA PHARMA AG (DE) 2003-06-26 WO claimed
US-6110471-A ADMINISTERING PHOSPHODIESTERASE FOR INHIBITION OF THE CYCLES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2000-08-29 US claimed
EP-0199968-B1 THIAZOLE DERIVATIVES ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 1990-02-28 EP claimed
US-4804668-A CARDIOTONIC AGENTS ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 1989-02-14 US claimed
EP-0199968-A1 Thiazole derivatives ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 1986-11-05 EP claimed
EP-3267986-B1 PDE5 INHIBITORS FOR USE IN REDUCING RENAL CYST SIZE AND/OR PREVENTING RENAL CYST GROWTH UNIV INDIANA RES & TECH CORP (US) 2022-09-14 EP disclosed
US-4804668-A CARDIOTONIC AGENTS ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 1989-02-14 US disclosed
EP-0199968-A1 Thiazole derivatives ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 1986-11-05 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 (1 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-20060094723-A1 Composition comprising a pde4 inhibitor and a pde5 inhibitor PDE5A, PDE12, PDE4A CDC7 2834/4885DBF4 540/4885CCNE1 4727/4885

“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.