SCHEMBL3175543

SCHEMBL3175543

CC(=O)NCCNc1cc(NC(=O)CN2CCCN(c3ccccc3)CC2)nc(-c2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.50
▸ TSHR P16473 4/20 0.48
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ATM Q13315 1/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ JAK3 P52333 1/20 0.46
▸ HTT P42858 2/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ USP2 O75604 3/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ REV1 Q9UBZ9 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ SLC27A1 Q6PCB7 1/20 0.43
▸ GAA P10253 1/20 0.43

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
SCHEMBL3162425 0.96 EGFR (0.53) EGFRTSHRMEN1KMT2AATM
SCHEMBL3166249 0.91 GAA (0.54) EGFRTSHRMEN1KMT2AATM
SCHEMBL3170421 0.91 SMN1; SMN2 (0.55) EGFRTSHRMEN1KMT2AATM
SCHEMBL3162806 0.90 JAK3 (0.51) EGFRTSHRMEN1KMT2AJAK3
SCHEMBL3161698 0.90 ALDH1A1 (0.54) EGFRMEN1KMT2AHTTSMN1; SMN2
SCHEMBL3164709 0.90 NPC1 (0.47) MEN1KMT2AJAK3MAPTALDH1A1
SCHEMBL3163125 0.90 NPC1 (0.47) MEN1KMT2AJAK3MAPTALDH1A1
SCHEMBL3164831 0.90 MAPT (0.50) EGFRTSHRKMT2AJAK2JAK3
SCHEMBL3165286 0.89 USP2 (0.57) TSHRMEN1KMT2AHTTSMN1; SMN2
SCHEMBL3156207 0.89 ALDH1A1 (0.48) MEN1KMT2AATMSMN1; SMN2MAPT

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 10 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
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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