SCHEMBL3172373

SCHEMBL3172373

CC(=O)NCCNc1cc(NC(=O)C(=O)N2CCC(Cc3ccccc3)CC2)nc(-c2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 5/20 0.49
▸ GRIN3B O60391 5/20 0.49
▸ GRIN1 Q05586 5/20 0.49
▸ GRIN2A Q12879 5/20 0.49
▸ GRIN2B Q13224 5/20 0.49
▸ GRIN2C Q14957 5/20 0.49
▸ GRIN3A Q8TCU5 5/20 0.49
▸ ADORA2B P29275 2/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ ADORA2A P29274 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ FAAH O00519 4/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41

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
SCHEMBL3163481 0.91 ADORA2A (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3169774 0.89 ADORA2A (0.43) ADORA2BADORA3ADORA2AADORA1MAPT
SCHEMBL3175769 0.88 ADORA2A (0.45) ADORA2BADORA3ADORA2AADORA1MAPT
SCHEMBL3162937 0.87 ADORA2A (0.46) ADORA2BADORA3ADORA2AADORA1MAPT
SCHEMBL3165495 0.87 TDP1 (0.45) ADORA2BADORA3ADORA2AADORA1
SCHEMBL3166225 0.86 ADORA2A (0.45) ADORA2BADORA3ADORA2AADORA1MAPT
SCHEMBL3174594 0.86 ADORA2A (0.45) ADORA2BADORA3ADORA2AADORA1MAPT
SCHEMBL3162870 0.86 NPSR1 (0.44) ADORA2BADORA3ADORA2AADORA1POLB
SCHEMBL3171546 0.86 ADORA2A (0.40) ADORA2BADORA3ADORA2AADORA1POLB
SCHEMBL3163330 0.86 NPSR1 (0.48) POLBNPSR1L3MBTL1MEN1KMT2A

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
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
US-20030162764-A1 Pyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2003-08-28 — — US 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 (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-20050119271-A1 Pyrimidine A2B selective antagonist compounds, their synthesis and use ADORA2B, ADORA2A, ADORA3 GRIN2D 1112/4885GRIN3B 1029/4885GRIN1 2234/4885
US-20030162764-A1 Pyrimidine A2b selective antagonist compounds, their synthesis and use ADORA2B, ADORA2A, ADORA3 GRIN2D 594/4885GRIN3B 403/4885GRIN1 1396/4885

“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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