SCHEMBL6233166

SCHEMBL6233166

CCCCn1c(=O)[nH]c2nc[nH]c2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 11/20 1.00
ADORA2A P29274 9/20 1.00
PDE4A P27815 8/20 1.00
PDE4B Q07343 8/20 1.00
PDE4C Q08493 8/20 1.00
PDE4D Q08499 8/20 1.00
ADORA3 P0DMS8 6/20 1.00
HPGD P15428 1/20 0.50
ADORA1 P30542 1/20 0.50
BLM P54132 1/20 0.50
PDE3A Q14432 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL27395394 1.00 ADORA2B (1.00) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL1892011 0.96 ADORA2B (0.92) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL21381249 0.94 ADORA2B (0.89) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL11661797 0.94 ADORA2B (0.89) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL4423680 0.91 ADORA2B (1.00) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL13728725 0.86 ADORA2A (0.75) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL9845195 0.86 ADORA2A (0.75) ADORA2BADORA2APDE4APDE4BPDE4C
1-Methylxanthine SCHEMBL17748264 0.86 ADORA2B (0.89) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL31081359 0.85 ADORA2B (0.74) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL5039468 0.85 ADORA2B (0.74) ADORA2BADORA2APDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105073749-A Improved process for the preparation of linagliptin MYLAN LAB LTD 2015-11-18 CN claimed
EP-2935266-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF LINAGLIPTIN Mylan Laboratories Ltd. (IN) 2015-10-28 EP claimed
US-20150299200-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF LINAGLIPTIN MYLAN LABORATORIES LTD (IN) 2015-10-22 US claimed
WO-2014097314-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF LINAGLIPTIN MYLAN LABORATORIES LTD (IN) 2014-06-26 WO claimed
US-5700369-A Process for adsorboaggregational flotation of Carlin type natural gold ore dressing GUANGZHOU INSTITUTE OF GEOCHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 1997-12-23 US claimed
US-5470579-A Xanthines, optionally incorporated in liposomes, for promoting skin or hair pigmentation LVMH, RECHERCHE (FR) 1995-11-28 US claimed
EP-0502043-B1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR LVMH RECH (FR) 1995-03-01 EP claimed
CN-122029936-A Light-emitting element, display device, and method for manufacturing light-emitting element 夏普显示科技株式会社 2026-05-12 CN disclosed
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 WO disclosed
US-11225481-B2 Xanthine derivative inhibitors of BET proteins CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-01-18 US disclosed
US-20190292186-A1 XANTHINE DERIVATIVE INHIBITORS OF BET PROTEINS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-09-26 US disclosed
CN-108588015-A A kind of human mesenchymal stem cell adipogenic induction differential medium and preparation method 安徽瑞杰赛尔生物科技有限公司 2018-09-28 CN disclosed
EP-0944725-A1 PHOSPHODIESTERASE 8A ICOS CORPORATION (US) 1999-09-29 EP disclosed
US-5932465-A POLYPEPTIDE FOR DETECTING ALLELIC VARIANTS; DEVELOPING ANTISENSE AGENTS; GENETIC PROBES; DEVELOPING THERAPEUTIC MODELS ICOS CORPORATION (US) 1999-08-03 US disclosed
WO-1999019495-A1 PHOSPHODIESTERASE 8A ICOS CORPORATION (US) 1999-04-22 WO disclosed
US-5700369-A Process for adsorboaggregational flotation of Carlin type natural gold ore dressing GUANGZHOU INSTITUTE OF GEOCHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 1997-12-23 US disclosed
EP-0502043-B1 UTILIZATION OF XANTHINES, OPTIONALLY INCORPORATED IN LIPOSOMES IN ORDER TO HELP THE PIGMENTATION OF SKIN OR HAIR LVMH RECH (FR) 1995-03-01 EP disclosed
US-4289776-A VASODILATORS, FIBRINOLYTIC HOECHST AKTIENGESELLSCHAFT (DE) 1981-09-15 US disclosed
US-4242345-A VASODILATORS Wulfing, Johann A. (DE) 1980-12-30 US 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 (3 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-20190292186-A1 XANTHINE DERIVATIVE INHIBITORS OF BET PROTEINS BET1, BRD4, BRD3 ADORA2B 3323/4885ADORA2A 3171/4885PDE4A 1873/4885
US-11225481-B2 Xanthine derivative inhibitors of BET proteins BET1, BRD4, BRD3 ADORA2B 3323/4885ADORA2A 3171/4885PDE4A 1873/4885
US-20150299200-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF LINAGLIPTIN DPP4, DPP3, DPP8 ADORA2B 1759/4885ADORA2A 2758/4885PDE4A 400/4885

“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.