Sugi Predict

Sugi Predict / Compounds / SCHEMBL3248194

SCHEMBL3248194

SCHEMBL3248194

NC(=O)CNc1nc(-c2ccccc2)nc2[nH]c(C(=O)N3CCC(Cc4ccc(F)cc4)CC3)cc12

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ ADORA2B P29275 2/20 0.49
▸ ADORA3 P0DMS8 1/20 0.49
▸ ADORA2A P29274 1/20 0.49
▸ ADORA1 P30542 1/20 0.49
▸ GRIN2D O15399 6/20 0.47
▸ GRIN3B O60391 6/20 0.47
▸ GRIN1 Q05586 6/20 0.47
▸ GRIN2A Q12879 6/20 0.47
▸ GRIN2B Q13224 6/20 0.47
▸ GRIN2C Q14957 6/20 0.47
▸ GRIN3A Q8TCU5 6/20 0.47
▸ MAPT P10636 1/20 0.45

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 0.87 ADORA2B (0.66) MEN1KMT2AADORA2BADORA3ADORA2A
SCHEMBL3252240 0.81 ADORA2B (0.72) MEN1KMT2AADORA2BADORA3ADORA2A
SCHEMBL3535636 0.80 ADORA2B (0.65) MEN1KMT2AADORA2BADORA3ADORA2A
SCHEMBL3245206 0.79 ADORA2B (0.76) MEN1KMT2AADORA2BADORA3ADORA2A
SCHEMBL3251206 0.78 MAPT (0.58) MEN1KMT2AGRIN2DGRIN3BGRIN1
SCHEMBL3245755 0.78 PDE10A (0.52) MEN1KMT2AADORA2BADORA3ADORA2A
SCHEMBL13548834 0.77 ADORA2B (0.68) MEN1KMT2AADORA2BADORA3ADORA2A
SCHEMBL3253576 0.76 PDE10A (0.55) MEN1KMT2AADORA2BADORA3ADORA2A
SCHEMBL3242412 0.76 PDE10A (0.50) ADORA2BADORA3ADORA2AADORA1MAPT
SCHEMBL3253517 0.75 ADORA2B (0.65) ADORA2BADORA3ADORA2AADORA1GRIN2D

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 6 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-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 MEN1 3661/4885KMT2A 1528/4885ADORA2B 3/4885
US-20030229067-A1 Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use ADORA2B, OXER1, CNR1 MEN1 4584/4885KMT2A 2399/4885ADORA2B 1/4885

“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.