SCHEMBL3243560

SCHEMBL3243560

CC(=O)NCCNc1nc(-c2ccccc2)nc2[nH]c(C(=O)N3CCN(CCOc4ccc(Cl)cc4)CC3)cc12

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 3/20 0.71
ADORA3 P0DMS8 1/20 0.71
ADORA2A P29274 1/20 0.71
ADORA1 P30542 1/20 0.71
DRD3 P35462 15/20 0.54
KCNA5 P22460 2/20 0.50
DRD2 P14416 8/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ADRB1 P08588 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2C P18825 1/20 0.46
HTR2B P41595 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL3249668 0.88 ADORA2B (0.90) ADORA2BADORA3ADORA2AADORA1MEN1
SCHEMBL3246997 0.87 ADORA2B (0.61) ADORA2BADORA3ADORA2AADORA1DRD3
SCHEMBL3252881 0.86 ADORA2B (0.82) ADORA2BADORA3ADORA2AADORA1MEN1
SCHEMBL3243571 0.86 ADORA2B (0.69) ADORA2BADORA3ADORA2AADORA1DRD2
SCHEMBL3246284 0.85 ADORA2B (0.62) ADORA2BADORA3ADORA2AADORA1
SCHEMBL3252209 0.85 ADORA2B (0.85) ADORA2BADORA3ADORA2AADORA1DRD2
SCHEMBL3243557 0.85 ADORA2B (0.80) ADORA2BADORA3ADORA2AADORA1MEN1
SCHEMBL3246050 0.85 ADORA2B (0.91) ADORA2BADORA3ADORA2AADORA1MEN1
SCHEMBL3263901 0.85 ADORA2B (0.82) ADORA2BADORA3ADORA2AADORA1MEN1
SCHEMBL3249907 0.84 ADORA2B (0.83) ADORA2BADORA3ADORA2AADORA1

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-1467995-B1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2010-05-19 EP claimed
US-7645754-B2 Pyrrolopyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2010-01-12 US claimed
US-20080261943-A1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2008-10-23 US claimed
US-20030229067-A1 Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2003-12-11 US claimed
EP-1467995-B1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2010-05-19 EP disclosed
US-7645754-B2 Pyrrolopyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2010-01-12 US disclosed
US-7645754-B2 Pyrrolopyrimidine A2B selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2010-01-12 US disclosed
US-20080261943-A1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2008-10-23 US disclosed
US-20080261943-A1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2008-10-23 US disclosed
US-20030229067-A1 Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2003-12-11 US 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-20080261943-A1 PYRROLOPYRIMIDINE A2B SELECTIVE ANTAGONIST COMPOUNDS, THEIR SYNTHESIS AND USE NR0B2, NR0B1, ADORA2B ADORA2B 3/4885ADORA3 10/4885ADORA2A 6/4885
US-20030229067-A1 Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use ADORA2B, OXER1, CNR1 ADORA2B 1/4885ADORA3 26/4885ADORA2A 16/4885

“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.