SCHEMBL516338

SCHEMBL516338

CNc1nc2c([nH]1)c(=O)n(C)c(=O)n2C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.62
HTT P42858 2/20 0.62
LMNA P02545 1/20 0.62
GFER P55789 1/20 0.62
TAAR1 Q96RJ0 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
MAPT P10636 3/20 0.61
KMT2A Q03164 2/20 0.61
ALOX15 P16050 1/20 0.57
ADORA2A P29274 1/20 0.56
MEN1 O00255 1/20 0.55
USP2 O75604 1/20 0.54
RECQL P46063 1/20 0.54
POLB P06746 2/20 0.54
HSD17B10 Q99714 2/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP3A4 P08684 1/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
RXFP1 Q9HBX9 1/20 0.52

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
SCHEMBL10812553 0.80 GAA (0.70) GAAHTTLMNAGFERTAAR1
SCHEMBL17206273 0.80 GAA (0.56) GAAHTTLMNAGFERTAAR1
SCHEMBL678868 0.79 PDE1A (0.69) GAAMAPTKMT2AMEN1CYP3A4
SCHEMBL15749724 0.79 GAA (0.65) GAAHTTLMNAGFERTAAR1
SCHEMBL17213617 0.79 GAA (0.66) GAAHTTLMNAGFERTAAR1
SCHEMBL21175860 0.77 GAA (1.00) GAAHTTLMNAGFERTAAR1
SCHEMBL461786 0.77 PDE2A (0.62) LMNAKMT2AADORA2AMEN1POLB
SCHEMBL15750029 0.76 GAA (0.66) GAAHTTLMNAGFERTAAR1
SCHEMBL15749705 0.76 GAA (0.62) GAAHTTLMNAGFERTAAR1
SCHEMBL21186474 0.76 GAA (1.00) GAAHTTLMNAGFERTAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0167566-A4 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME. SUNSHINE ABRAHAM (US) 1987-06-29 EP claimed
EP-0165308-A4 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME. RICHARDSON VICKS INC (US) 1986-05-16 EP claimed
US-4567183-A SYNERGISTIC, POTENTIATION ANALGESIC ASSOCIATES (US) 1986-01-28 US claimed
EP-0167566-A1 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME SUNSHINE, Abraham (US) 1986-01-15 EP claimed
EP-0165308-A1 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME. RICHARDSON VICKS INC (US) 1985-12-27 EP claimed
US-4558051-A Analgesic and anti-inflammatory compositions comprising xanthines and methods of using same RICHARDSON-VICKS, INC. (US) 1985-12-10 US claimed
WO-1985002540-A1 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME RICHARDSON-VICKS, INC. (US) 1985-06-20 WO claimed
WO-1985002542-A1 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME SUNSHINE ABRAHAM 1985-06-20 WO claimed
US-20250386846-A1 Food Compositions Including Aragonite NANT HOLDINGS IP LLC (US) 2025-12-25 US disclosed
US-12419336-B2 Beverage compositions including calcium supplied from aragonite and methods of making the same NANT HOLDINGS IP, LLC (US) 2025-09-23 US disclosed
US-20250194654-A1 Beverage Compositions Including Calcium Supplied From Aragonite And Methods Of Making The Same NANT HOLDINGS IP, LLC 2025-06-19 US disclosed
US-12310392-B2 Beverage compositions including calcium supplied from aragonite and methods of making the same NANT HOLDINGS IP, LLC (US) 2025-05-27 US disclosed
US-20240381918-A1 Beverage Compositions Including Calcium Supplied From Aragonite And Methods Of Making The Same NANT HOLDINGS IP, LLC 2024-11-21 US disclosed
US-12089621-B2 Beverage compositions including calcium supplied from aragonite and methods of making the same NANT HOLDINGS IP, LLC (US) 2024-09-17 US disclosed
US-4567183-A SYNERGISTIC, POTENTIATION ANALGESIC ASSOCIATES (US) 1986-01-28 US disclosed
EP-0167566-A1 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME SUNSHINE, Abraham (US) 1986-01-15 EP disclosed
EP-0165308-A1 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME. RICHARDSON VICKS INC (US) 1985-12-27 EP disclosed
US-4558051-A Analgesic and anti-inflammatory compositions comprising xanthines and methods of using same RICHARDSON-VICKS, INC. (US) 1985-12-10 US disclosed
WO-1985002540-A1 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME RICHARDSON-VICKS, INC. (US) 1985-06-20 WO disclosed
WO-1985002542-A1 ANALGESIC AND ANTI-INFLAMMATORY COMPOSITIONS COMPRISING XANTHINES AND METHODS OF USING SAME SUNSHINE ABRAHAM 1985-06-20 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 (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-20250386846-A1 Food Compositions Including Aragonite PLCG2, PLCG1, PLCB3 GAA 1752/4885HTT 3517/4885LMNA 3024/4885

“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.