SCHEMBL1489751

SCHEMBL1489751

COc1ccc(N2CCN(CC(=O)Nc3cc(-c4nccs4)nc(-c4ccccn4)n3)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.70
ADORA1 P30542 8/20 0.57
USP2 O75604 1/20 0.53
LMNA P02545 2/20 0.51
TSHR P16473 2/20 0.51
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL1489435 0.93 ADORA2A (0.64) ADORA2AADORA1USP2LMNATSHR
SCHEMBL1489778 0.91 ADORA2A (0.60) ADORA2AADORA1LMNATSHRKMT2A
SCHEMBL1489472 0.89 ADORA2A (0.58) ADORA2AADORA1LMNAKMT2AALDH1A1
SCHEMBL1489600 0.87 ADORA2A (0.60) ADORA2AADORA1USP2TSHRKMT2A
SCHEMBL1489422 0.86 ADORA2A (0.73) ADORA2AADORA1KDM4EALDH1A1
SCHEMBL1489440 0.85 ADORA2A (0.56) ADORA2AADORA1TSHRKDM4E
SCHEMBL1489346 0.85 ADORA2A (0.62) ADORA2AADORA1
SCHEMBL1489893 0.84 ADORA2A (0.62) ADORA2AADORA1
SCHEMBL1489534 0.84 ADORA2A (0.62) ADORA2AADORA1
SCHEMBL1489744 0.84 ADORA2A (0.61) ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888565-B1 2, 6-DI (HETERO) ARYL -4-AMIDO-PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL SA (ES) 2011-03-23 EP claimed
US-20080275064-A1 Substituted Pyrimidines as Adenosine Receptor Antagonists ALMIRALL, S.A. (ES) 2008-11-06 US claimed
EP-1888565-B1 2, 6-DI (HETERO) ARYL -4-AMIDO-PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL SA (ES) 2011-03-23 EP disclosed
US-20080275064-A1 Substituted Pyrimidines as Adenosine Receptor Antagonists ALMIRALL, S.A. (ES) 2008-11-06 US disclosed
EP-1888565-A2 2, 6-DI (HETERO) ARYL -4-AMIDO-PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2008-02-20 EP disclosed
WO-2006110884-A2 2, 6-DI (HETERO) ARYL -4-AMIDO-PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS NEUROCRINE BIOSCIENCES, INC. (US) 2006-10-19 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-20080275064-A1 Substituted Pyrimidines as Adenosine Receptor Antagonists ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA1 3/4885USP2 4358/4885

“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.