SCHEMBL516001

SCHEMBL516001

Cn1c(=O)c2[nH]c(C3CC3)nc2n(C)c1=O

nearest known ligand 0.88

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.88
ADORA2B P29275 4/20 0.88
MAPK1 P28482 2/20 0.88
LMNA P02545 2/20 0.88
CYP1A2 P05177 2/20 0.88
ADORA3 P0DMS8 2/20 0.88
PMP22 Q01453 2/20 0.88
CYP3A4 P08684 1/20 0.88
NFKB1 P19838 1/20 0.88
SMN1; SMN2 Q16637 1/20 0.88
HIF1A Q16665 2/20 0.65
ALOX15 P16050 1/20 0.65
ADORA1 P30542 4/20 0.61
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
GMNN O75496 1/20 0.55
TSHR P16473 1/20 0.55

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
8-Cyclopentyltheophylline SCHEMBL431907 0.94 ADORA2A (1.00) ADORA2AADORA2BMAPK1LMNACYP1A2
8-Cyclopentyltheophylline SCHEMBL13397811 0.94 ADORA2A (1.00) ADORA2AADORA2BMAPK1LMNACYP1A2
SCHEMBL515967 0.92 ADORA2A (1.00) ADORA2AADORA2BMAPK1LMNACYP1A2
SCHEMBL24559224 0.91 ADORA2A (0.79) ADORA2AADORA2BMAPK1LMNACYP1A2
SCHEMBL10670203 0.84 ADORA2A (0.69) ADORA2AADORA2BMAPK1LMNACYP1A2
SCHEMBL10675625 0.84 ADORA2A (0.69) ADORA2AADORA2BMAPK1LMNACYP1A2
SCHEMBL1458459 0.79 ADORA2A (0.61) ADORA2AADORA2BMAPK1LMNACYP1A2
SCHEMBL9262515 0.79 ADORA2A (0.74) ADORA2AADORA2BMAPK1LMNACYP1A2
SCHEMBL4231269 0.78 ADORA2A (0.60) ADORA2AADORA2BMAPK1LMNACYP1A2
SCHEMBL8356923 0.78 ADORA1 (0.85) ADORA2AADORA2BMAPK1LMNACYP1A2

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 74 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 ADORA2A 2335/4885ADORA2B 1369/4885MAPK1 1970/4885

“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.