SCHEMBL5400933

SCHEMBL5400933

CCCn1c(=O)c2[nH]cnc2n(CC)c1=O

nearest known ligand 0.91

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 16/20 0.91
PDE4B Q07343 16/20 0.91
PDE4C Q08493 16/20 0.91
PDE4D Q08499 16/20 0.91
ADORA2A P29274 12/20 0.91
ADORA2B P29275 11/20 0.91

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
SCHEMBL4623455 0.95 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL515771 0.95 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
Ammonia Solution, Strong SCHEMBL10420651 0.94 PDE4A (0.97) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL21381263 0.91 ADORA2B (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL515564 0.91 ADORA2A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL5006812 0.90 ADORA2B (0.92) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL3842077 0.90 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL21381259 0.90 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL21381255 0.89 ADORA2B (0.92) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL9430034 0.88 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10226467-B2 Compounds for the treatment of myotonic dystrophy UNIVERSITAT DE VALENCIA (ES) 2019-03-12 US claimed
EP-3217985-B1 COMPOUNDS FOR THE TREATMENT OF MYOTONIC DYSTROPHY UNIV VALENCIA (ES) 2018-09-12 EP claimed
EP-3217984-B1 CAFFEINE FOR THE TREATMENT OF MYOTONIC DYSTROPHY TYPE 1 AND TYPE 2 UNIV VALENCIA (ES) 2018-09-12 EP claimed
US-20170312285-A1 COMPOUNDS FOR THE TREATMENT OF MYOTONIC DYSTROPHY SELABTEC SCIENCES, SL (ES) 2017-11-02 US claimed
EP-3020403-A1 Compounds for the treatment of myotonic dystrophy Universitat de Valéncia (ES) 2016-05-18 EP claimed
EP-3020404-A1 Caffeine for the treatment of myotonic dystrophy type 1 and type 2 Universitat de Valéncia (ES) 2016-05-18 EP claimed
US-20050148067-A1 Materials and methods for binding nucleic acids to surfaces LYLES MARK B (US) 2005-07-07 US claimed
US-6855817-B2 Materials and methods for binding nucleic acids to surfaces LYLES MARK B (US) 2005-02-15 US claimed
EP-1305328-A2 MATERIALS AND METHODS FOR BINDING NUCLEIC ACIDS TO SURFACES Lyles, Mark B. (US) 2003-05-02 EP claimed
US-20020103350-A1 Materials and methods for binding nucleic acids to surfaces LYLES MARK B (US) 2002-08-01 US claimed
WO-2002008237-A2 MATERIALS AND METHODS FOR BINDING NUCLEIC ACIDS TO SURFACES LYLES MARK B (US) 2002-01-31 WO claimed
US-11225481-B2 Xanthine derivative inhibitors of BET proteins CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-01-18 US disclosed
US-20190292186-A1 XANTHINE DERIVATIVE INHIBITORS OF BET PROTEINS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-09-26 US disclosed
US-10226467-B2 Compounds for the treatment of myotonic dystrophy UNIVERSITAT DE VALENCIA (ES) 2019-03-12 US disclosed
EP-3217985-B1 COMPOUNDS FOR THE TREATMENT OF MYOTONIC DYSTROPHY UNIV VALENCIA (ES) 2018-09-12 EP disclosed
US-20050148067-A1 Materials and methods for binding nucleic acids to surfaces LYLES MARK B (US) 2005-07-07 US disclosed
US-6855817-B2 Materials and methods for binding nucleic acids to surfaces LYLES MARK B (US) 2005-02-15 US disclosed
EP-1305328-A2 MATERIALS AND METHODS FOR BINDING NUCLEIC ACIDS TO SURFACES Lyles, Mark B. (US) 2003-05-02 EP disclosed
US-20020103350-A1 Materials and methods for binding nucleic acids to surfaces LYLES MARK B (US) 2002-08-01 US disclosed
WO-2002008237-A2 MATERIALS AND METHODS FOR BINDING NUCLEIC ACIDS TO SURFACES LYLES MARK B (US) 2002-01-31 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-20190292186-A1 XANTHINE DERIVATIVE INHIBITORS OF BET PROTEINS BET1, BRD4, BRD3 PDE4A 1873/4885PDE4B 1806/4885PDE4C 2442/4885
US-20170312285-A1 COMPOUNDS FOR THE TREATMENT OF MYOTONIC DYSTROPHY SMN1; SMN2, CPT1B, MTPN PDE4A 826/4885PDE4B 580/4885PDE4C 1007/4885
US-10226467-B2 Compounds for the treatment of myotonic dystrophy SMN1; SMN2, CPT1B, MTPN PDE4A 826/4885PDE4B 580/4885PDE4C 1007/4885
US-11225481-B2 Xanthine derivative inhibitors of BET proteins BET1, BRD4, BRD3 PDE4A 1873/4885PDE4B 1806/4885PDE4C 2442/4885

“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.