SCHEMBL974087

SCHEMBL974087

Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)ncc1C1CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.56
KCNH2 Q12809 1/20 0.56
PDE5A O76074 11/20 0.55
GUCY1A1 Q02108 7/20 0.50
GUCY1B1 Q02153 7/20 0.50

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
SCHEMBL29380310 1.00 ADORA3 (0.56) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL29378676 1.00 ADORA3 (0.56) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL30298890 1.00 ADORA3 (0.56) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL6216180 0.96 ADORA3 (0.55) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL6218288 0.96 ADORA3 (0.55) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL6219289 0.95 ADORA3 (0.54) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL15087495 0.89 PDE5A (0.57) ADORA3KCNH2PDE5A
SCHEMBL20682623 0.88 ADORA3 (0.57) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL6218458 0.87 ADORA3 (0.61) ADORA3KCNH2PDE5AGUCY1A1GUCY1B1
SCHEMBL6214026 0.87 BUB1 (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3790546-B1 NON-STEROIDAL MINERALOCORTICOID RECEPTOR ANTAGONISTS ALONE OR IN COMBINATION FOR USE IN THE TREATMENT OF MUSCULAR OR NEUROMUSCULAR DISEASES BAYER AG (DE) 2024-08-21 EP claimed
CN-112105358-B Non-steroidal mineralocorticoid receptor antagonists alone or in combination for the treatment of muscle or neuromuscular diseases 拜耳公司 2023-10-13 CN claimed
US-11439628-B2 Use of non-steroidal mineralocorticoid receptor antagonists alone or in combination for the treatment of muscular or neuromuscular diseases BAYER AKTIENGESELLSCHAFT (DE) 2022-09-13 US claimed
US-20220211702-A1 METHODS AND MATERIALS FOR GENDER-DEPENDENT TREATMENT OF CARDIOVASCULAR DYSFUNCTION MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2022-07-07 US claimed
US-20220087970-A1 PREVENTION OF ANESTHETIC-INDUCED NEUROCOGNITIVE DYSFUNCTION THE JOHNS HOPKINS UNIVERSTY 2022-03-24 US claimed
US-20210121447-A1 The Use of Non-Steroidal Mineralocorticoid Receptor Antagonists Alone or in Combination for the Treatment of Muscular or Neuromuscular Diseases BAYER AKTIENGESELLSCHAFT (DE) 2021-04-29 US claimed
EP-3790546-A1 THE USE OF NON-STEROIDAL MINERALOCORTICOID RECEPTOR ANTAGONISTS ALONE OR IN COMBINATION FOR THE TREATMENT OF MUSCULAR OR NEUROMUSCULAR DISEASES Bayer Aktiengesellschaft (DE) 2021-03-17 EP claimed
CN-112105358-A Non-steroidal mineralocorticoid receptor antagonists for use alone or in combination in the treatment of muscular or neuromuscular diseases 拜耳公司 2020-12-18 CN claimed
WO-2020150698-A1 PREVENTION OF ANESTHETIC-INDUCED NEUROCOGNITIVE DYSFUNCTION THE JOHNS HOPKINS UNIVERSITY (US) 2020-07-23 WO claimed
US-10568895-B2 Methods and materials for treating calcific aortic valve stenosis MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2020-02-25 US claimed
WO-2015011086-A1 SGC STIMULATORS OR SGC ACTIVATORS AND PDE5 INHIBITORS IN COMBINATION WITH ADDITIONAL TREATMENT FOR THE THERAPY OF CYSTIC FIBROSIS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-01-29 WO claimed
US-20130035340-A1 sGC STIMULATORS OR sGC ACTIVATORS ALONE AND IN COMBINATION WITH PDE5 INHBITORS FOR THE TREATMENT OF CYSTIC FIBROSIS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-07 US claimed
EP-2531187-A1 sGC STIMULATORS OR sGC ACTIVATORS ALONE AND IN COMBINATION WITH PDE5 INHBITORS FOR THE TREATMENT OF CYSTIC FIBROSIS Bayer Intellectual Property GmbH (DE) 2012-12-12 EP claimed
WO-2011095534-A1 sGC STIMULATORS OR sGC ACTIVATORS ALONE AND IN COMBINATION WITH PDE5 INHBITORS FOR THE TREATMENT OF CYSTIC FIBROSIS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-11 WO claimed
US-20050255178-A1 Enhancing the effectiveness of an inhaled therapeutic gas NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2005-11-17 US claimed
WO-2005077005-A2 ENHANCING THE EFFECTIVENESS OF AN INHALED THERAPEUTIC GAS THE GENERAL HOSPITAL CORPORATION (US) 2005-08-25 WO claimed
US-20050181066-A1 Novel use of guanylate cyclase activators for the treatment of respiratory insufficiency ALTANA PHARMA AG (DE) 2005-08-18 US claimed
US-20050059660-A1 activators of soluble guanylate cyclase, and inhibitors of angiotensin converting enzyme such as benazepril; treatment of cardiovascular or metabolic disorders PHARMACIA & UPJOHN COMPANY 2005-03-17 US claimed
EP-1501605-A1 NOVEL USE OF GUANYLATE CYCLASE ACTIVATORS FOR THE TREATMENT OF RESPIRATORY INSUFFICIENCY ALTANA Pharma AG (DE) 2005-02-02 EP claimed
WO-2003090870-A1 NOVEL USE OF GUANYLATE CYCLASE ACTIVATORS FOR THE TREATMENT OF RESPIRATORY INSUFFICIENCY ALTANA PHARMA AG (DE) 2003-11-06 WO claimed

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-20130035340-A1 sGC STIMULATORS OR sGC ACTIVATORS ALONE AND IN COMBINATION WITH PDE5 INHBITORS FOR THE TREATMENT OF CYSTIC FIBROSIS PDE5A, PDE3B, PDE3A ADORA3 1626/4885KCNH2 1362/4885PDE5A 1/4885
US-11439628-B2 Use of non-steroidal mineralocorticoid receptor antagonists alone or in combination for the treatment of muscular or neuromuscular diseases MC2R, NR3C2, NR3C1 ADORA3 1773/4885KCNH2 2108/4885PDE5A 7/4885
US-20210121447-A1 The Use of Non-Steroidal Mineralocorticoid Receptor Antagonists Alone or in Combination for the Treatment of Muscular or Neuromuscular Diseases MC2R, NR3C2, NR3C1 ADORA3 1580/4885KCNH2 1905/4885PDE5A 5/4885
US-20220087970-A1 PREVENTION OF ANESTHETIC-INDUCED NEUROCOGNITIVE DYSFUNCTION PYGB, PRKG1, ACHE ADORA3 427/4885KCNH2 1780/4885PDE5A 39/4885

“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.