SCHEMBL3166495

SCHEMBL3166495

CC(=O)NCCNc1cc(NC(=O)C(=O)N2CCN(c3ccccc3)CC2)nc(-c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC1A2 P43004 1/20 0.44
▸ ADORA2A P29274 4/20 0.43
▸ ADORA1 P30542 4/20 0.43
▸ ADORA2B P29275 4/20 0.43
▸ ADORA3 P0DMS8 3/20 0.43
▸ P2RY12 Q9H244 4/20 0.41
▸ TSHR P16473 3/20 0.39
▸ USP2 O75604 1/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CLK4 Q9HAZ1 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL3162484 0.95 MAPT (0.44) SLC1A2ADORA2AADORA1ADORA2BADORA3
SCHEMBL3155601 0.95 ADORA2A (0.42) SLC1A2ADORA2AADORA1ADORA2BADORA3
SCHEMBL3164671 0.95 ADORA2A (0.41) SLC1A2ADORA2AADORA1ADORA2BADORA3
SCHEMBL3163864 0.94 LMNA (0.43) ADORA2AADORA1ADORA2BADORA3USP2
SCHEMBL3165133 0.93 ADORA2A (0.40) SLC1A2ADORA2AADORA1ADORA2BADORA3
SCHEMBL3260451 0.92 SLC1A2 (0.52) SLC1A2ADORA3TSHRUSP2MAPK1
SCHEMBL3161165 0.92 ABCG2 (0.45) ADORA2AADORA1ADORA2BADORA3USP2
SCHEMBL3175769 0.91 ADORA2A (0.45) ADORA2AADORA1ADORA2BADORA3P2RY12
SCHEMBL3156095 0.91 SLC1A2 (0.46) SLC1A2ADORA2AADORA1ADORA2BADORA3
SCHEMBL3174104 0.91 ADORA2A (0.41) SLC1A2ADORA2AADORA1ADORA2BADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465631-B1 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2010-02-24 — — EP disclosed
US-7501407-B2 Pyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2009-03-10 — — US disclosed
US-6916804-B2 Pyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2005-07-12 — — US disclosed
US-20050119271-A1 Pyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2005-06-02 — — US disclosed
CN-1620294-A Pyrimidine A2BSelective antagonist compounds, their synthesis and use OSI PHARM INC (US) 2005-05-25 — — CN disclosed
EP-1465631-A4 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2005-03-30 — — EP disclosed
EP-1465631-A2 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI Pharmaceuticals, Inc. (US) 2004-10-13 — — EP disclosed
WO-2003053366-A2 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2003-07-03 — — 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-20050119271-A1 Pyrimidine A2B selective antagonist compounds, their synthesis and use ADORA2B, ADORA2A, ADORA3 SLC1A2 179/4885ADORA2A 2/4885ADORA1 4/4885

“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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