SCHEMBL3156040

SCHEMBL3156040

CC(=O)NCCNc1cc(NC(=O)CN2CCCN(CCc3ccccc3)CC2)nc(-c2ccccc2)n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 6/20 0.49
▸ ADORA1 P30542 6/20 0.49
▸ ADORA3 P0DMS8 5/20 0.49
▸ ADORA2B P29275 4/20 0.49
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ SMYD2 Q9NRG4 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ ABCC1 P33527 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ NOS3 P29474 1/20 0.40
▸ NOS1 P29475 1/20 0.40
▸ KCNH2 Q12809 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
SCHEMBL3165191 0.97 ADORA2A (0.51) ADORA2AADORA1ADORA3ADORA2BHTR2A
SCHEMBL3162838 0.92 ADORA3 (0.58) ADORA2AADORA1ADORA3ADORA2BHTR2A
SCHEMBL3156207 0.91 ALDH1A1 (0.48) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL3164709 0.89 NPC1 (0.47) ADORA2AADORA1ADORA3ADORA2BGSK3B
SCHEMBL3163125 0.89 NPC1 (0.47) ADORA2AADORA1ADORA3ADORA2BGSK3B
SCHEMBL3163746 0.88 ALDH1A1 (0.50) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL3169937 0.88 ALDH1A1 (0.48) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL3162725 0.87 ADORA2B (0.53) ADORA2AADORA1ADORA3ADORA2BHTR2A
SCHEMBL3175543 0.87 EGFR (0.50) —
SCHEMBL3161606 0.87 ADORA1 (0.47) ADORA2AADORA1ADORA3ADORA2B

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 18 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 claimed
US-7501407-B2 Pyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2009-03-10 — — US claimed
US-6916804-B2 Pyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2005-07-12 — — US claimed
EP-1465631-A4 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2005-03-30 — — EP claimed
EP-1465631-A2 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI Pharmaceuticals, Inc. (US) 2004-10-13 — — EP claimed
US-20030162764-A1 Pyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2003-08-28 — — US claimed
WO-2003053366-A2 PYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2003-07-03 — — WO claimed
US-8802684-B2 Adenine derivatives GLAXOSMITHKLINE LLC (US) 2014-08-12 — — US disclosed
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-7501407-B2 Pyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2009-03-10 — — US 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 ADORA2A 2/4885ADORA1 4/4885ADORA3 3/4885
US-20030162764-A1 Pyrimidine A2b selective antagonist compounds, their synthesis and use ADORA2B, ADORA2A, ADORA3 ADORA2A 2/4885ADORA1 4/4885ADORA3 3/4885

“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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