SCHEMBL3169308

SCHEMBL3169308

NC(=O)CNc1cc(NC(=O)CN2CCN(C/C=C/c3ccccc3)CC2)nc(-c2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ANXA2 P07355 3/20 0.52
▸ S100A10 P60903 3/20 0.52
▸ LMNA P02545 5/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ GAA P10253 1/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ KDM4E B2RXH2 4/20 0.47
▸ TSHR P16473 4/20 0.44
▸ USP2 O75604 4/20 0.44
▸ MAPT P10636 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ HTT P42858 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RECQL P46063 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
SCHEMBL3169319 1.00 ANXA2 (0.52) ANXA2S100A10LMNAMEN1KMT2A
SCHEMBL3170808 0.85 ANXA2 (0.52) ANXA2S100A10LMNAMEN1KMT2A
SCHEMBL3170804 0.85 ANXA2 (0.52) ANXA2S100A10LMNAMEN1KMT2A
SCHEMBL3167927 0.85 ANXA2 (0.55) ANXA2S100A10LMNAMEN1KMT2A
SCHEMBL3167906 0.85 ANXA2 (0.55) ANXA2S100A10LMNAMEN1KMT2A
SCHEMBL13920246 0.84 ALDH1A1 (0.53) MEN1KMT2AGAASMN1; SMN2ALDH1A1
SCHEMBL3170320 0.79 ALDH1A1 (0.48) LMNAMEN1KMT2AGAASMN1; SMN2
SCHEMBL3177052 0.73 HTT (0.46) LMNAMEN1KMT2AGAASMN1; SMN2
SCHEMBL3177049 0.73 HTT (0.46) LMNAMEN1KMT2AGAASMN1; SMN2
SCHEMBL4486114 0.73 MEN1 (0.60) ANXA2S100A10LMNAMEN1KMT2A

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
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 ANXA2 890/4885S100A10 2774/4885LMNA 3137/4885
US-20030162764-A1 Pyrimidine A2b selective antagonist compounds, their synthesis and use ADORA2B, ADORA2A, ADORA3 ANXA2 1275/4885S100A10 3614/4885LMNA 2940/4885

“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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