SCHEMBL515773

SCHEMBL515773

CCc1nc2c([nH]1)c(=O)n(C)c(=O)n2C

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.77
ALDH1A1 P00352 5/20 0.69
HSD17B10 Q99714 2/20 0.69
CYP3A4 P08684 1/20 0.69
CASP1 P29466 1/20 0.69
CASP7 P55210 1/20 0.69
CYP2C19 P33261 3/20 0.59
CYP1A2 P05177 1/20 0.59
PABPC1 P11940 1/20 0.58
ALOX15 P16050 1/20 0.58
MAPK1 P28482 1/20 0.58
TSHR P16473 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CYP2D6 P10635 1/20 0.54
NR2F2 P24468 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
SCHEMBL516379 0.87 POLB (1.00) POLBALDH1A1HSD17B10CYP3A4CASP1
SCHEMBL28991327 0.85 ALDH1A1 (0.72) POLBALDH1A1HSD17B10CYP3A4CASP1
SCHEMBL3368846 0.85 POLB (0.69) POLBALDH1A1HSD17B10CYP3A4CASP1
SCHEMBL8666396 0.85 POLB (0.69) POLBALDH1A1HSD17B10CYP3A4CASP1
SCHEMBL11389501 0.84 ADORA1 (0.61) POLB
SCHEMBL9406540 0.84 POLB (0.83) POLBALDH1A1HSD17B10CYP3A4CASP1
SCHEMBL7095216 0.83 POLB (0.55) POLBALDH1A1HSD17B10CYP3A4CASP1
Hydrochloric Acid SCHEMBL8666334 0.83 POLB (0.68) POLBALDH1A1HSD17B10CYP3A4CASP1
SCHEMBL21765989 0.83 POLB (0.77) POLBALDH1A1HSD17B10CYP3A4CASP1
SCHEMBL515968 0.83 CYP3A4 (0.75) POLBALDH1A1HSD17B10CYP3A4CASP1

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 90 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
CN-115850279-B Theophylline derived spontaneous combustion ionic salt and preparation method thereof 哈尔滨工业大学(深圳) 2024-11-15 CN 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
WO-1985000516-A1 SUSTAINED RELEASE METHOD AND PRODUCT R. P. SCHERER CORPORATION (US) 1985-02-14 WO disclosed
US-4299832-A Substituted theophylline compounds FISONS LIMITED (GB) 1981-11-10 US disclosed
US-4284633-A ANTIALLERGENS BOEHRINGER MANNHEIM GMBH (DE) 1981-08-18 US disclosed
EP-0011399-A1 N-substituted theophyllines, processes for their preparation and pharmaceutical compositions containing them FISONS plc (GB) 1980-05-28 EP 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 4333/4885ALDH1A1 4338/4885HSD17B10 4409/4885

“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.