SCHEMBL3423318

SCHEMBL3423318

C#CCn1c(=O)[nH]c2nc[nH]c2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 9/20 1.00
▸ ADORA3 P0DMS8 8/20 1.00
▸ ADORA2A P29274 4/20 0.66
▸ PDE4A P27815 3/20 0.66
▸ PDE4B Q07343 3/20 0.66
▸ PDE4C Q08493 3/20 0.66
▸ PDE4D Q08499 3/20 0.66

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
SCHEMBL380135 0.80 ADORA2A (1.00) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL5515444 0.80 ADORA2A (0.71) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL30012331 0.79 ADORA2B (0.65) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL7217322 0.78 ADORA2A (0.97) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL4423680 0.77 ADORA2B (1.00) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL4602969 0.77 ADORA2B (0.73) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL7491460 0.77 ADORA2B (0.70) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL2541187 0.76 ADORA2B (0.61) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL6464355 0.76 ADORA2B (1.00) ADORA2BADORA3ADORA2APDE4APDE4B
SCHEMBL9386893 0.76 ADORA2A (0.70) ADORA2BADORA3ADORA2APDE4APDE4B

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101690744-A synergistic anti-inflammatory pharmaceutical compositions and related methods using curcuminoids or methylxanthines METAPROTEOMICS LLC 2010-04-07 — — CN claimed
CN-1946409-A Synergistic anti-inflammatory pharmaceutical compositions and related methods of using curcuminoids or methylxanthines METAPROTEOMICS LLC (US) 2007-04-11 — — CN claimed
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
CN-110573509-B MLKL inhibitors 北京生命科学研究所 2023-05-26 — — CN disclosed
WO-2023039578-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER OMEROS CORPORATION (US) 2023-03-16 — — WO disclosed
US-20170050173-A1 PROGRAMMABLE MIP CATCH AND RELEASE TECHNOLOGY THE DECAF COMPANY, LLC (US) 2017-02-23 — — US disclosed
US-20170050175-A1 PROGRAMMABLE MIP CATCH AND RELEASE TECHNOLOGY THE DECAF COMPANY, LLC 2017-02-23 — — US disclosed
US-20170050174-A1 PROGRAMMABLE MIP CATCH AND RELEASE TECHNOLOGY STUCKEY, MARION MELVIN 2017-02-23 — — US disclosed
WO-2013058681-A2 SUBSTITUTED PHENOXYACETIC ACIDS AND ESTERS AND AMIDES THEREOF, COMPRISING A 2,6-DIOXO-2,3,6,7-TETRAHYDRO-1Н-PURINE-8-YL FRAGMENT AND CONSTITUTING А2A ADENOSINE RECEPTOR ANTAGONISTS, AND THE USE THEREOF ОБЩЕСТВО С ОГРАНИЧЕННОЙ ОТВЕТСТВЕННОСТЬЮ "НЬЮВАК" (ООО "НЬЮВАК") (RU) 2013-04-25 — — WO disclosed
WO-2010065959-A1 METHOD OF PREPARING ADENOSINE-RESISTANT ANTI-TUMOR T LYMPHOCYTES FOR ADOPTIVE IMMUNOTHERAPY NORTHEASTERN UNIVERSITY (US) 2010-06-10 — — WO disclosed
CN-101690744-A synergistic anti-inflammatory pharmaceutical compositions and related methods using curcuminoids or methylxanthines METAPROTEOMICS LLC 2010-04-07 — — CN disclosed
CN-1946409-A Synergistic anti-inflammatory pharmaceutical compositions and related methods of using curcuminoids or methylxanthines METAPROTEOMICS LLC (US) 2007-04-11 — — CN disclosed
US-6710051-B1 SUBSTANCES IS A XANTHINE AND IS ADMINISTERED IN A DOSAGE OF 7.5-750 MG 1-4 TIMES DAILY TO TREAT MYOPIA KLAUS TRIER APS (DK) 2004-03-23 — — 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 (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-20170050175-A1 PROGRAMMABLE MIP CATCH AND RELEASE TECHNOLOGY CCL11, CXCL10, CCL5 ADORA2B 2584/4885ADORA3 1941/4885ADORA2A 2500/4885
US-20170050173-A1 PROGRAMMABLE MIP CATCH AND RELEASE TECHNOLOGY CCL11, CXCL10, CCL5 ADORA2B 2584/4885ADORA3 1941/4885ADORA2A 2500/4885

“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.

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