Sugi Predict

Sugi Predict / Compounds / SCHEMBL3250474

SCHEMBL3250474

SCHEMBL3250474

CN(C(N)=O)c1nc(-c2ccccc2)nc2c1cc(C(=O)O)n2S(=O)(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 6/20 0.41
▸ HTR1A P08908 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ HTR1D P28221 1/20 0.37
▸ HTR1B P28222 1/20 0.37
▸ HTR1F P30939 1/20 0.37
▸ HTR7 P34969 1/20 0.37
▸ DRD3 P35462 1/20 0.37
▸ HTR6 P50406 1/20 0.37
▸ CCR2 P41597 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HIF1A Q16665 1/20 0.35

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 0.79 CCR2 (0.43) CCR2MEN1KMT2AHTTALDH1A1
SCHEMBL3255081 0.78 CCR2 (0.42) CCR2MEN1KMT2AHTTALDH1A1
SCHEMBL3250471 0.77 PDE10A (0.47) HTR1ADRD2HTR1DHTR1BHTR1F
SCHEMBL3253736 0.73 CYP1A2 (0.52) MEN1KMT2AKDM4EALDH1A1CYP3A4
SCHEMBL7752787 0.72 MAT2A (0.43) KMT2AGBA1USP2TSHR
Lithium Ion SCHEMBL3255078 0.71 KMT2A (0.39) CCR2MEN1KMT2AHTTKDM4E
SCHEMBL3253577 0.68 KDM4E (0.38) MEN1KMT2AHTTKDM4EALDH1A1
SCHEMBL13548724 0.66 LMNA (0.42) MEN1KMT2AHTTALDH1A1HPGD
SCHEMBL23910826 0.66 ENPP3 (0.48) CCR2KMT2AHTTKDM4EALDH1A1
SCHEMBL13548767 0.65 MAPK1 (0.45) HTTALDH1A1CYP3A4TP53USP2

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 MAPK14 4092/4885HTR1A 142/4885DRD2 169/4885
US-20030229067-A1 Pyrrolopyrimidine A2b selective antagonist compounds, their synthesis and use ADORA2B, OXER1, CNR1 MAPK14 4363/4885HTR1A 91/4885DRD2 190/4885

“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.