SCHEMBL3163367

SCHEMBL3163367

O=C(CBr)Nc1cc(Cl)nc(-c2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 13/20 0.56
▸ ADORA3 P0DMS8 12/20 0.56
▸ ADORA2A P29274 9/20 0.56
▸ ADORA2B P29275 1/20 0.56
▸ EGFR P00533 1/20 0.48
▸ ATP4A P20648 1/20 0.46
▸ ATP4B P51164 1/20 0.46
▸ LMNA P02545 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PTGS2 P35354 1/20 0.44

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
SCHEMBL13920230 0.86 ADORA3 (0.75) ADORA1ADORA3ADORA2AADORA2BEGFR
SCHEMBL13480172 0.83 ADORA1 (0.55) ADORA1ADORA3ADORA2AADORA2BEGFR
SCHEMBL3164554 0.79 ESR1 (0.60) ADORA1ADORA3ADORA2AADORA2BLMNA
SCHEMBL11790960 0.77 PTGS2 (0.52) ADORA1ADORA3ADORA2AADORA2BATP4A
SCHEMBL3165897 0.76 ADORA1 (0.51) ADORA1ADORA3ADORA2AADORA2BEGFR
SCHEMBL5016271 0.74 ADORA3 (0.62) ADORA1ADORA3ADORA2AADORA2BEGFR
SCHEMBL3163177 0.74 ALDH1A1 (0.52) LMNAMEN1ALDH1A1KMT2A
SCHEMBL3163070 0.74 ESR1 (0.55) ADORA1ADORA3ADORA2AADORA2BMEN1
SCHEMBL11264636 0.72 CYP2D6 (0.56) ADORA1ATP4AATP4BLMNAMEN1
SCHEMBL523744 0.72 LMNA (0.56) ATP4AATP4BLMNAMEN1ALDH1A1

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 11 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-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
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
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 ADORA1 4/4885ADORA3 3/4885ADORA2A 2/4885
US-20030162764-A1 Pyrimidine A2b selective antagonist compounds, their synthesis and use ADORA2B, ADORA2A, ADORA3 ADORA1 4/4885ADORA3 3/4885ADORA2A 2/4885

“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.

Send feedback