SCHEMBL3162425

SCHEMBL3162425

CC(=O)NCCNc1cc(NC(=O)CN2CCN(c3ccccc3)CC2)nc(-c2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.53
▸ TSHR P16473 4/20 0.51
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ ATM Q13315 1/20 0.49
▸ JAK2 O60674 1/20 0.49
▸ JAK3 P52333 1/20 0.49
▸ HTT P42858 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ REV1 Q9UBZ9 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ USP2 O75604 3/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ GFER P55789 1/20 0.45

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
SCHEMBL3175543 0.96 EGFR (0.50) EGFRTSHRMEN1KMT2AATM
SCHEMBL3170421 0.95 SMN1; SMN2 (0.55) EGFRTSHRMEN1KMT2AATM
SCHEMBL3166249 0.95 GAA (0.54) EGFRTSHRMEN1KMT2AATM
SCHEMBL3162806 0.94 JAK3 (0.51) EGFRTSHRMEN1KMT2AJAK3
SCHEMBL3161698 0.94 ALDH1A1 (0.54) EGFRMEN1KMT2AHTTSMN1; SMN2
SCHEMBL3164831 0.93 MAPT (0.50) EGFRTSHRKMT2AJAK2JAK3
SCHEMBL3165286 0.92 USP2 (0.57) TSHRMEN1KMT2AHTTSMN1; SMN2
SCHEMBL3156668 0.92 MAPT (0.59) TSHRMEN1KMT2AHTTSMN1; SMN2
SCHEMBL3258722 0.91 EGFR (0.46) EGFRTSHRMEN1KMT2AATM
SCHEMBL3160939 0.91 ALDH1A1 (0.52) EGFRTSHRHTTSMN1; SMN2ALDH1A1

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 EGFR 764/4885TSHR 68/4885MEN1 4340/4885
US-20030162764-A1 Pyrimidine A2b selective antagonist compounds, their synthesis and use ADORA2B, ADORA2A, ADORA3 EGFR 977/4885TSHR 99/4885MEN1 4670/4885

“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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