SCHEMBL5405285

SCHEMBL5405285

CCn1c(=O)c2[nH]cnc2n(CC(C)C)c1=O

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.86
ADORA2B P29275 12/20 0.86
PDE2A O00408 2/20 0.76
PDE1A P54750 2/20 0.76
PDE1B Q01064 2/20 0.76
PDE1C Q14123 2/20 0.76
PDE4A P27815 13/20 0.72
PDE4B Q07343 13/20 0.72
PDE4C Q08493 13/20 0.72
PDE4D Q08499 13/20 0.72
CFTR P13569 2/20 0.72
PDE5A O76074 1/20 0.72
CYP1A2 P05177 1/20 0.72
CYP3A4 P08684 1/20 0.72
TSHR P16473 1/20 0.72
MAPK1 P28482 1/20 0.72
ADORA1 P30542 1/20 0.72
SCN1A P35498 1/20 0.72
PDE6C P51160 1/20 0.72
PDE3B Q13370 1/20 0.72

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
SCHEMBL10339736 0.89 ADORA2A (0.74) ADORA2AADORA2BPDE2APDE1APDE1B
SCHEMBL515564 0.88 ADORA2A (1.00) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL10579248 0.86 ADORA2B (1.00) ADORA2AADORA2BPDE2APDE1APDE1B
SCHEMBL4623650 0.85 ADORA2B (0.80) ADORA2AADORA2BPDE2APDE1APDE1B
Isobutylmethylxanthine SCHEMBL50315 0.84 PDE4A (1.00) ADORA2AADORA2BPDE2APDE1APDE1B
Isobutylmethylxanthine SCHEMBL28814716 0.84 PDE4A (1.00) ADORA2AADORA2BPDE2APDE1APDE1B
SCHEMBL9430122 0.84 ADORA2B (0.85) ADORA2AADORA2BPDE2APDE1APDE1B
SCHEMBL11073850 0.84 ADORA2B (0.78) ADORA2AADORA2BPDE2APDE1APDE1B
SCHEMBL4623455 0.84 PDE4A (1.00) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL7608518 0.83 ADORA2B (0.72) ADORA2AADORA2BPDE2APDE1APDE1B

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 38 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-3217984-B1 CAFFEINE FOR THE TREATMENT OF MYOTONIC DYSTROPHY TYPE 1 AND TYPE 2 UNIV VALENCIA (ES) 2018-09-12 EP claimed
EP-3217985-B1 COMPOUNDS FOR THE TREATMENT OF MYOTONIC DYSTROPHY 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
US-20170304309-A1 CAFFEINE FOR THE TREATMENT OF MYOTONIC DYSTROPHY TYPE 1 AND TYPE 2 INSTITUT UNIV. DE CIENCIA I TECNOLOGIA, S.A. (ES) 2017-10-26 US claimed
EP-3217985-A1 COMPOUNDS FOR THE TREATMENT OF MYOTONIC DYSTROPHY Universitat de València (ES) 2017-09-20 EP claimed
EP-3217984-A1 CAFFEINE FOR THE TREATMENT OF MYOTONIC DYSTROPHY TYPE 1 AND TYPE 2 Universitat de València (ES) 2017-09-20 EP claimed
WO-2016075285-A1 COMPOUNDS FOR THE TREATMENT OF MYOTONIC DYSTROPHY UNIVERSITAT DE VALÈNCIA (ES) 2016-05-19 WO claimed
WO-2016075288-A1 CAFFEINE FOR THE TREATMENT OF MYOTONIC DYSTROPHY TYPE 1 AND TYPE 2 UNIVERSITAT DE VALÈNCIA (ES) 2016-05-19 WO 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-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-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 (3 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-20170304309-A1 CAFFEINE FOR THE TREATMENT OF MYOTONIC DYSTROPHY TYPE 1 AND TYPE 2 SMN1; SMN2, TDP2, MTPN ADORA2A 374/4885ADORA2B 972/4885PDE2A 330/4885
US-20170312285-A1 COMPOUNDS FOR THE TREATMENT OF MYOTONIC DYSTROPHY SMN1; SMN2, CPT1B, MTPN ADORA2A 775/4885ADORA2B 1199/4885PDE2A 304/4885
US-10226467-B2 Compounds for the treatment of myotonic dystrophy SMN1; SMN2, CPT1B, MTPN ADORA2A 775/4885ADORA2B 1199/4885PDE2A 304/4885

“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.