8-Phenyl Theophylline

8-Phenyl Theophylline

SCHEMBL516432

Cn1c(=O)c2[nH]c(-c3ccccc3)nc2n(C)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 1.00
ADORA2B P29275 3/20 1.00
ADORA1 P30542 2/20 1.00
KDM4E B2RXH2 1/20 1.00
CYP1A2 P05177 1/20 1.00
ADORA3 P0DMS8 1/20 1.00
BLM P54132 1/20 1.00
NPSR1 Q6W5P4 1/20 1.00
HSD17B10 Q99714 1/20 1.00
ALDH1A1 P00352 1/20 0.73
TSHR P16473 1/20 0.73

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
SCHEMBL25090466 0.88 ADORA2B (0.78) ADORA2AADORA2BADORA1KDM4ECYP1A2
SCHEMBL6868854 0.87 ADORA2B (0.76) ADORA2AADORA2BADORA1KDM4ECYP1A2
SCHEMBL516013 0.87 ADORA2B (0.77) ADORA2AADORA2BADORA1KDM4ECYP1A2
SCHEMBL516029 0.85 ADORA2B (0.75) ADORA2AADORA2BADORA1KDM4ECYP1A2
SCHEMBL10723936 0.85 ADORA2B (1.00) ADORA2AADORA2BADORA1KDM4ECYP1A2
SCHEMBL7318169 0.85 KDM4E (0.76) ADORA2AADORA2BADORA1KDM4ECYP1A2
SCHEMBL515588 0.85 KDM4E (0.76) ADORA2AADORA2BADORA1KDM4ECYP1A2
SCHEMBL25090491 0.85 ADORA2B (0.75) ADORA2AADORA2BADORA1KDM4ECYP1A2
SCHEMBL25090657 0.85 ADORA2B (0.73) ADORA2AADORA2BADORA1KDM4ECYP1A2
SCHEMBL25090490 0.85 ALDH1A1 (1.00) ADORA2AADORA2BADORA1KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12576085-B2 Combination comprising an ATP analog and an adenosine receptor antagonist or a nucleobase/nucleoside analog for the treatment of cancer SAWYER MICHAEL BRUCE (CA) 2026-03-17 US claimed
US-20230301968-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING FLUBENDAZOLE ZEPHAPHARM LTD (GB) 2023-09-28 US claimed
EP-3923936-B1 PHARMACEUTICAL COMBINATIONS COMPRISING MEBENDAZOLE AND A STRONG OR MODERATE CYP1A2 INHIBITOR ZEPHAPHARM LTD (GB) 2023-08-09 EP claimed
EP-4178948-A2 FUNCTIONALIZED ISONITRILES AND PRODUCTS, PREPARATION AND USES THEREOF Universidade de Santiago de Compostela (ES) 2023-05-17 EP claimed
EP-3972591-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING FLUBENDAZOLE ZEPHAPHARM LTD (GB) 2022-12-28 EP claimed
US-20220125765-A1 PHARMACEUTICAL COMBINATIONS COMPRISING MEBENDAZOLE AND A STRONG OR MODERATE CYP1A2 INHIBITOR ZEPHAPHARM LTD (GB) 2022-04-28 US claimed
EP-3972591-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING FLUBENDAZOLE Zephapharm Ltd. (GB) 2022-03-30 EP claimed
WO-2022034275-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING FLUBENDAZOLE ZEPHAPHARM LTD (GB) 2022-02-17 WO claimed
WO-2022023496-A2 FUNCTIONALIZED ISONITRILES AND PRODUCTS, PREPARATION AND USES THEREOF UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2022-02-03 WO claimed
EP-3923936-A1 PHARMACEUTICAL COMBINATIONS COMPRISING MEBENDAZOLE AND A STRONG OR MODERATE CYP1A2 INHIBITOR Zephapharm Ltd. (GB) 2021-12-22 EP claimed
WO-1991007945-A1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR LVMH RECHERCHE (FR) 1991-06-13 WO claimed
EP-0322206-A2 Compositions and methods for improving cold tolerance in animals and humans HER MAJESTY IN RIGHT OF CANADA AS REPRESENTED BY THE MINISTER OF NATIONAL DEFENCE (CA) 1989-06-28 EP claimed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-12576085-B2 Combination comprising an ATP analog and an adenosine receptor antagonist or a nucleobase/nucleoside analog for the treatment of cancer ADORA2A, ADORA2B, ABCG2 ADORA2A 1/4885ADORA2B 2/4885ADORA1 9/4885
US-20230301968-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING FLUBENDAZOLE CYP3A43, CYP1A2, CYP3A5 ADORA2A 458/4885ADORA2B 267/4885ADORA1 305/4885

“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.