Sugi Predict

Sugi Predict / Compounds / SCHEMBL3255081

SCHEMBL3255081

SCHEMBL3255081

O=C(O)c1cc2c(Cl)nc(-c3ccccc3)nc2n1S(=O)(=O)c1ccccc1.[LiH]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 1/20 0.42
▸ ACLY P53396 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MCOLN3 Q8TDD5 1/20 0.38
▸ HTT P42858 2/20 0.37
▸ BCL2 P10415 1/20 0.37
▸ BID P55957 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ SRC P12931 1/20 0.36
▸ GBA1 P04062 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ RXRA P19793 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PPARG P37231 1/20 0.35
▸ PPARD Q03181 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ AGTR1 P30556 1/20 0.34

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
SCHEMBL3251937 0.99 CCR2 (0.43) CCR2ACLYKMT2AMEN1MAPT
Lithium Ion SCHEMBL3255078 0.90 KMT2A (0.39) CCR2ACLYKMT2AMEN1MAPT
SCHEMBL7745780 0.87 NOD2 (0.39) ACLYKMT2AMEN1GBA1ALDH1A1
SCHEMBL13548724 0.83 LMNA (0.42) KMT2AMEN1MAPTMCOLN3HTT
SCHEMBL13548767 0.82 MAPK1 (0.45) HTTALDH1A1LMNASMN1; SMN2
SCHEMBL13548766 0.80 PGR (0.41) KMT2AMEN1MAPTHTTMCL1
SCHEMBL13550308 0.80 MEN1 (0.38) KMT2AMEN1MAPTMCOLN3HTT
SCHEMBL3250474 0.78 MAPK14 (0.41) CCR2KMT2AMEN1HTTGBA1
SCHEMBL3250471 0.78 PDE10A (0.47) KMT2AMEN1MAPTHTTALDH1A1
SCHEMBL21481581 0.76 ALDH1A1 (0.41) CCR2MAPTHTTSRCALDH1A1

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 CCR2 190/4885ACLY 1815/4885KMT2A 1528/4885
US-20030229067-A1 Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use ADORA2B, OXER1, CNR1 CCR2 274/4885ACLY 2277/4885KMT2A 2399/4885

“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.