Sugi Predict

Sugi Predict / Compounds / SCHEMBL3253576

SCHEMBL3253576

SCHEMBL3253576

NC(=O)CNc1nc(-c2ccccc2)nc2[nH]c(C(=O)O)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.55
▸ ADORA2B P29275 2/20 0.44
▸ ADORA2A P29274 2/20 0.44
▸ ADORA1 P30542 2/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44
▸ SIRT5 Q9NXA8 1/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ PRKCI P41743 1/20 0.40
▸ RECQL P46063 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ IKBKB O14920 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.38

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
SCHEMBL3255064 0.81 ADORA2B (0.64) ADORA2BADORA2AADORA1ADORA3SIRT5
SCHEMBL3245755 0.78 PDE10A (0.52) PDE10AADORA2BADORA2AADORA1ADORA3
SCHEMBL3245206 0.78 ADORA2B (0.76) PDE10AADORA2BADORA2AADORA1ADORA3
SCHEMBL13656766 0.77 ADORA2B (0.47) ADORA2BADORA2AADORA1ADORA3SIRT5
SCHEMBL13550146 0.77 ADORA2B (0.62) ADORA2BADORA2AADORA1ADORA3SIRT5
SCHEMBL3242412 0.76 PDE10A (0.50) PDE10AADORA2BADORA2AADORA1ADORA3
SCHEMBL3248194 0.76 MEN1 (0.52) ADORA2BADORA2AADORA1ADORA3MEN1
SCHEMBL13656531 0.76 ACP1 (0.47) ADORA2BADORA2AADORA1ADORA3SIRT5
SCHEMBL3262926 0.75 ADORA2B (0.46) PDE10AADORA2BADORA2AADORA1ADORA3
SCHEMBL13548834 0.75 ADORA2B (0.68) PDE10AADORA2BADORA2AADORA1ADORA3

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 4 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-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 PDE10A 1681/4885ADORA2B 3/4885ADORA2A 6/4885
US-20030229067-A1 Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use ADORA2B, OXER1, CNR1 PDE10A 3595/4885ADORA2B 1/4885ADORA2A 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.