SCHEMBL4825271

SCHEMBL4825271

O=C(Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 16/20 1.00
ADORA3 P0DMS8 14/20 1.00
ADORA2A P29274 11/20 0.72
ADORA2B P29275 1/20 0.67
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL24859012 0.97 ADORA1 (0.94) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL4260774 0.87 ADORA1 (0.77) ADORA1ADORA3ADORA2AADORA2BMEN1
SCHEMBL4827433 0.86 ADORA3 (1.00) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL4823120 0.84 ADORA3 (1.00) ADORA1ADORA3ADORA2AADORA2BMEN1
SCHEMBL4822464 0.80 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2BMEN1
SCHEMBL4825106 0.80 ADORA3 (1.00) ADORA1ADORA3ADORA2AADORA2BMEN1
SCHEMBL24859034 0.80 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL4824825 0.80 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2BMEN1
SCHEMBL6498848 0.80 ADORA1 (1.00) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL1938370 0.79 ADORA3 (0.76) ADORA1ADORA3ADORA2AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449470-B2 Substituted pyrimidines as ligands of adenosine receptors UNIVERSITEIT LEIDEN (NL) 2008-11-11 US claimed
US-20070032510-A1 Substituted pyrimidines as ligands of adenosine receptors UNIVERSITEIT LEIDEN (NL) 2007-02-08 US claimed
EP-1667985-A1 SUBSTITUTED PYRIMIDINES AS LIGANDS OF ADENOSINE RECEPTORS Universiteit Leiden (NL) 2006-06-14 EP claimed
WO-2005033084-A1 SUBSTITUTED PYRIMIDINES AS LIGANDS OF ADENOSINE RECEPTORS UNIVERSITEIT LEIDEN (NL) 2005-04-14 WO 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
US-7449470-B2 Substituted pyrimidines as ligands of adenosine receptors UNIVERSITEIT LEIDEN (NL) 2008-11-11 US disclosed
US-20070032510-A1 Substituted pyrimidines as ligands of adenosine receptors UNIVERSITEIT LEIDEN (NL) 2007-02-08 US disclosed
EP-1667985-A1 SUBSTITUTED PYRIMIDINES AS LIGANDS OF ADENOSINE RECEPTORS Universiteit Leiden (NL) 2006-06-14 EP disclosed
WO-2005033084-A1 SUBSTITUTED PYRIMIDINES AS LIGANDS OF ADENOSINE RECEPTORS UNIVERSITEIT LEIDEN (NL) 2005-04-14 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-20070032510-A1 Substituted pyrimidines as ligands of adenosine receptors ADORA2A, ADORA3, ADORA1 ADORA1 3/4885ADORA3 2/4885ADORA2A 1/4885

“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.