SCHEMBL4823120

SCHEMBL4823120

CC(=O)Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 15/20 1.00
ADORA1 P30542 11/20 1.00
ADORA2A P29274 8/20 1.00
ADORA2B P29275 2/20 0.72
MEN1 O00255 2/20 0.70
ALDH1A1 P00352 2/20 0.70
MAPT P10636 2/20 0.70
HPGD P15428 2/20 0.70
KMT2A Q03164 2/20 0.70
NPSR1 Q6W5P4 1/20 0.70
RXFP1 Q9HBX9 1/20 0.70
KDM4E B2RXH2 1/20 0.70
CYP2C19 P33261 1/20 0.70

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
SCHEMBL4260774 0.87 ADORA1 (0.77) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL4825271 0.84 ADORA1 (1.00) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL24859012 0.84 ADORA1 (0.94) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL4825106 0.83 ADORA3 (1.00) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL4822464 0.83 ADORA1 (1.00) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL4824825 0.83 ADORA1 (1.00) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL2754553 0.83 KMT2A (1.00) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL4827120 0.81 ADORA1 (1.00) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL24859034 0.80 ADORA1 (1.00) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL4829224 0.80 ADORA1 (1.00) ADORA3ADORA1ADORA2AADORA2B

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 ADORA3 2/4885ADORA1 3/4885ADORA2A 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.