SCHEMBL515534

SCHEMBL515534

CSc1nc2c([nH]1)c(=O)n(C)c(=O)n2C

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.58
HSD17B10 Q99714 3/20 0.55
KDM4E B2RXH2 2/20 0.55
ADORA2A P29274 2/20 0.55
ADORA2B P29275 2/20 0.55
CYP1A2 P05177 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
ADORA1 P30542 1/20 0.55
BLM P54132 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ALDH1A1 P00352 3/20 0.54
HPGD P15428 1/20 0.54
CYP3A4 P08684 1/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53

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
SCHEMBL515969 0.82 POLB (0.61) POLBHSD17B10ALDH1A1CYP3A4CASP1
SCHEMBL14693698 0.79 LMNA (0.54) POLBHSD17B10ADORA2AADORA2BCYP1A2
SCHEMBL24559445 0.79 MEN1 (0.57) POLBHSD17B10KDM4EADORA2ACYP1A2
SCHEMBL6100556 0.78 SIRT1 (0.56) POLBADORA2A
SCHEMBL22521857 0.77 MEN1 (0.65) POLBHSD17B10ADORA2AADORA2BCYP1A2
SCHEMBL461786 0.77 PDE2A (0.62) POLBHSD17B10KDM4EADORA2AADORA2B
SCHEMBL24559420 0.76 HTT (0.64) POLBADORA2ACYP1A2ADORA1ALDH1A1
SCHEMBL22521754 0.76 LMNA (0.52) POLBHSD17B10KDM4EADORA2AADORA2B
SCHEMBL24667106 0.76 CYP2C9 (0.52) POLBHSD17B10KDM4ECYP1A2ALDH1A1
SCHEMBL24559138 0.75 CYP1A2 (0.58) POLBHSD17B10KDM4EADORA2AADORA2B

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 56 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
WO-2001093832-A2 AQUEOUS CHONDROPROTECTIVE COMPOSITIONS HAVING DEFINED DOSAGE REQUIREMENTS FOR EFFICACIOUS DELIVERY THE PROCTER & GAMBLE COMPANY (US) 2001-12-13 WO disclosed
WO-2001093847-A2 COMPOSITIONS, KITS, AND METHODS FOR PROMOTING DEFINED HEALTH BENEFITS THE PROCTER & GAMBLE COMPANY (US) 2001-12-13 WO disclosed
WO-2001093831-A2 LOW CARBOHYDRATE COMPOSITIONS, KITS THEREOF, AND METHODS OF USE THE PROCTER & GAMBLE COMPANY (US) 2001-12-13 WO disclosed
WO-2001093833-A2 KITS AND METHODS FOR OPTIMIZING THE EFFICACY OF CHONDROPROTECTIVE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2001-12-13 WO disclosed
WO-2001093701-A2 AQUEOUS CHONDROPROTECTIVE COMPOSITIONS HAVING DEFINED PH LIMITATIONS FOR EFFICACIOUS DELIVERY THE PROCTER & GAMBLE COMPANY (US) 2001-12-13 WO disclosed
WO-2001005253-A1 COMPOSITIONS, KITS, AND METHODS FOR PROVIDING AND MAINTAINING ENERGY AND MENTAL ALERTNESS THE PROCTER & GAMBLE COMPANY (US) 2001-01-25 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 POLB 4333/4885HSD17B10 4409/4885KDM4E 4328/4885

“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.