SCHEMBL709377

SCHEMBL709377

N=C(N)NC(=O)c1cnccn1.[NaH]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.56
TSHR P16473 1/20 0.56
MC4R P32245 1/20 0.56
ADRA1A P35348 1/20 0.56
MC3R P41968 1/20 0.56
NPC1 O15118 5/20 0.49
RAB9A P51151 5/20 0.49
KDM4E B2RXH2 5/20 0.48
NAPRT Q6XQN6 1/20 0.48
HCAR2 Q8TDS4 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
BAZ2B Q9UIF8 1/20 0.47
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
MCL1 Q07820 1/20 0.45
PABPC1 P11940 1/20 0.44

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
SCHEMBL565773 0.98 ADORA3 (0.58) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL11422057 0.84 ADORA3 (0.62) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL5062627 0.83 KDM4E (0.61) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL11205929 0.83 KDM4E (0.59) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL11473900 0.78 TSHR (0.50) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL11205932 0.77 GAA (0.59) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL14921391 0.77 NPC1 (0.51) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL11568341 0.76 TSHR (0.56) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL10756114 0.76 SMYD3 (0.52) ADORA3TSHRMC4RADRA1AMC3R
Pyrazine Carboxylic Acid Hydrazide SCHEMBL107341 0.76 ADORA3 (0.61) ADORA3TSHRMC4RADRA1AMC3R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1196396-B1 PHARMACOLOGICALLY ACTIVE COMPOUNDS WITH TWO COVALENTLY LINKED ACTIVE PRINCIPLES (SODIUM CHANNNEL BLOCKER/P2Y2 RECEPTOR AGONIST) FOR THE TREATMENT OF MUCOSAL SURFACES UNIV NORTH CAROLINA (US) 2008-03-26 EP claimed
EP-1143896-B1 METHODS OF HYDRATING THE NASAL MUCOSAL SURFACE UNIV NORTH CAROLINA (US) 2006-12-13 EP claimed
US-7056524-B2 Methods of hydrating mucosal surfaces THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2006-06-06 US claimed
EP-1143896-A4 METHODS OF HYDRATING MUCOSAL SURFACES UNIV NORTH CAROLINA (US) 2004-11-24 EP claimed
JP-2004513870-A 2004-05-13 JP claimed
US-6613345-B2 Compounds of the general formula P1-L-P2; wherein \"P1\" is a pyrazinoylguanidine sodium channel blocker, \"L\" is a linking group, and \"P2\" is either (i) a pyrazinoylguanidine sodium channel blocker or (ii) a P2Y2 receptor agonist, are disclosed THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2003-09-02 US claimed
US-6607741-B2 For hydration of mucusoal surfaces of airways and gastrointestinal system; treatment of cystic fibrosis, primary ciliary dyskinesia, bronchitis, chronic obstructive airway disease, and pneumonia THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2003-08-19 US claimed
US-20020165239-A1 Conjugates of sodium channel blockers and methods of using the same BOUCHER RICHARD C (US) 2002-11-07 US claimed
US-6475509-B1 Covalent conjugates of sodium channel blockers and active compounds THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2002-11-05 US claimed
US-20020158255-A1 Conjugates of sodium channel blockers and methods of using the same NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-10-31 US claimed
EP-1196396-A1 CONJUGATES OF SODIUM CHANNEL BLOCKERS AND METHODS OF USING THE SAME UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2002-04-17 EP claimed
US-20010034349-A1 Methods of hydrating mucosal surfaces UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL, THE 2001-10-25 US claimed
EP-1143896-A1 METHODS OF HYDRATING MUCOSAL SURFACES The University of North Carolina at Chapel Hill (US) 2001-10-17 EP claimed
US-6264975-B1 TOPICAL APPLYING SODIUM CHANNEL BLOCKER THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2001-07-24 US claimed
WO-2001005773-A1 CONJUGATES OF SODIUM CHANNEL BLOCKERS AND METHODS OF USING THE SAME THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2001-01-25 WO claimed
WO-2000023023-A1 METHODS OF HYDRATING MUCOSAL SURFACES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2000-04-27 WO claimed
US-11578042-B2 3,5-diamino-6-chloro-N-(N-(4-(4-(2-(hexyl(2,3,4,5,6-pentahydroxyhexyl)amino)ethoxy)phenyl)butyl)carbamimidoyl)pyrazine-2-carboxamide PARION SCIENCES, INC. (US) 2023-02-14 US disclosed
US-20210024471-A1 3,5-DIAMINO-6-CHLORO-N-(N-(4-(4-(2-(HEXYL(2,3,4,5,6-PENTAHYDROXYHEXYL)AMINO)ETHOXY)PHENYL)BUTYL)CARBAMIMIDOYL)PYRAZINE-2-CARBOXAMIDE PARION SCIENCES, INC. (US) 2021-01-28 US disclosed
WO-2000023023-A1 METHODS OF HYDRATING MUCOSAL SURFACES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2000-04-27 WO disclosed
WO-2000023023-A1 METHODS OF HYDRATING MUCOSAL SURFACES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2000-04-27 WO 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-20010034349-A1 Methods of hydrating mucosal surfaces P2RY2, P2RY1, TRPV1 ADORA3 222/4885TSHR 2140/4885MC4R 1283/4885
US-20210024471-A1 3,5-DIAMINO-6-CHLORO-N-(N-(4-(4-(2-(HEXYL(2,3,4,5,6-PENTAHYDROXYHEXYL)AMINO)ETHOXY)PHENYL)BUTYL)CARBAMIMIDOYL)PYRAZINE-2-CARBOXAMIDE CFTR, ELANE, IL5 ADORA3 664/4885TSHR 3724/4885MC4R 3494/4885
US-11578042-B2 3,5-diamino-6-chloro-N-(N-(4-(4-(2-(hexyl(2,3,4,5,6-pentahydroxyhexyl)amino)ethoxy)phenyl)butyl)carbamimidoyl)pyrazine-2-carboxamide CFTR, ELANE, IL5 ADORA3 664/4885TSHR 3724/4885MC4R 3494/4885
US-20020165239-A1 Conjugates of sodium channel blockers and methods of using the same SCNN1B, P2RY2, P2RY1 ADORA3 289/4885TSHR 2142/4885MC4R 3200/4885

“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.