SCHEMBL3246358

SCHEMBL3246358

CC(=O)NCCNc1nc(-c2ccccc2)nc2[nH]c(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 3/20 0.65
ADORA2A P29274 2/20 0.65
ADORA1 P30542 2/20 0.65
ADORA3 P0DMS8 1/20 0.65
TP53 P04637 2/20 0.46
MAPT P10636 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
KMT2A Q03164 2/20 0.44
MGLL Q99685 3/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 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
SCHEMBL3254472 0.91 ADORA2B (0.74) ADORA2BADORA2AADORA1ADORA3TP53
SCHEMBL3542286 0.89 ADORA2B (0.68) ADORA2BADORA2AADORA1ADORA3TP53
SCHEMBL3255052 0.88 ADORA2B (0.66) ADORA2BADORA2AADORA1ADORA3MAPT
SCHEMBL3250096 0.88 ADORA2B (0.70) ADORA2BADORA2AADORA1ADORA3TP53
SCHEMBL3256257 0.88 ADORA2B (0.70) ADORA2BADORA2AADORA1ADORA3TP53
SCHEMBL3241996 0.88 ADORA2B (0.72) ADORA2BADORA2AADORA1ADORA3TP53
SCHEMBL3250566 0.87 ADORA2B (0.63) ADORA2BADORA2AADORA1ADORA3MAPT
SCHEMBL3255885 0.86 ADORA2B (0.60) ADORA2BADORA2AADORA1ADORA3MAPT
SCHEMBL3243571 0.85 ADORA2B (0.69) ADORA2BADORA2AADORA1ADORA3TP53
SCHEMBL3248047 0.85 ADORA2B (0.68) ADORA2BADORA2AADORA1ADORA3TP53

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 8 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 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-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-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 3/4885ADORA2A 6/4885ADORA1 17/4885
US-20030229067-A1 Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use ADORA2B, OXER1, CNR1 ADORA2B 1/4885ADORA2A 16/4885ADORA1 11/4885

“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.