Sugi Predict

Sugi Predict / Compounds / SCHEMBL3252240

SCHEMBL3252240

SCHEMBL3252240

CC(=O)NCCNc1nc(-c2ccccc2)nc2[nH]c(C(=O)N3CCC(Cc4ccccc4)CC3)cc12

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 3/20 0.72
▸ ADORA2A P29274 2/20 0.72
▸ ADORA1 P30542 2/20 0.72
▸ ADORA3 P0DMS8 1/20 0.72
▸ MAPT P10636 1/20 0.50
▸ GRIN2D O15399 6/20 0.49
▸ GRIN3B O60391 6/20 0.49
▸ GRIN1 Q05586 6/20 0.49
▸ GRIN2A Q12879 6/20 0.49
▸ GRIN2B Q13224 6/20 0.49
▸ GRIN2C Q14957 6/20 0.49
▸ GRIN3A Q8TCU5 6/20 0.49
▸ MEN1 O00255 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ NPC1 O15118 1/20 0.47

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
SCHEMBL3255575 0.95 ADORA2B (0.66) ADORA2BADORA2AADORA1ADORA3MAPT
SCHEMBL3535636 0.95 ADORA2B (0.65) ADORA2BADORA2AADORA1ADORA3MAPT
SCHEMBL3251564 0.92 ADORA2B (0.75) ADORA2BADORA2AADORA1ADORA3MAPT
SCHEMBL3247977 0.92 ADORA2B (0.69) ADORA2BADORA2AADORA1ADORA3MAPT
SCHEMBL3253517 0.91 ADORA2B (0.65) ADORA2BADORA2AADORA1ADORA3MAPT
SCHEMBL3242141 0.91 ADORA2B (0.78) ADORA2BADORA2AADORA1ADORA3MAPT
SCHEMBL13548773 0.90 ADORA2B (0.71) ADORA2BADORA2AADORA1ADORA3MAPT
SCHEMBL3246951 0.89 ADORA2B (0.70) ADORA2BADORA2AADORA1ADORA3MAPT
SCHEMBL3246315 0.89 ADORA2B (0.70) ADORA2BADORA2AADORA1ADORA3MAPT
SCHEMBL3252990 0.89 ADORA2B (0.66) ADORA2BADORA2AADORA1ADORA3MAPT

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.