SCHEMBL20546953

SCHEMBL20546953

Nc1nc(NCc2c(Cl)cccc2Cl)c2c(ccn2-c2ccc(N3CCC(O)CC3)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ PLA2G1B P04054 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ ATG4B Q9Y4P1 1/20 0.41
▸ HRH4 Q9H3N8 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ KCNH2 Q12809 3/20 0.37
▸ TLR7 Q9NYK1 3/20 0.37
▸ STAT6 P42226 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ MPI P34949 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ WEE1 P30291 2/20 0.37
▸ PTPN11 Q06124 1/20 0.36
▸ MAOB P27338 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
SCHEMBL20546870 0.86 HRH4 (0.53) MAPTKDM4EALDH1A1L3MBTL1PLA2G1B
SCHEMBL20546935 0.84 NLRP3 (0.42) MAPTKCNH2TLR7STAT6IRAK4
SCHEMBL20546169 0.81 IRAK4 (0.38) MAPTTLR7STAT6IRAK4
SCHEMBL19921190 0.81 IRAK4 (0.48) MAPTIRAK4
SCHEMBL19921106 0.79 STAT6 (0.45) KCNH2TLR7STAT6
SCHEMBL19921117 0.79 STAT6 (0.35) KCNH2TLR7STAT6IRAK4
SCHEMBL19921189 0.78 TTK (0.39) KCNH2TLR7STAT6MAPK1
SCHEMBL19921195 0.77 STAT6 (0.46) MAPTKDM4EALDH1A1L3MBTL1PLA2G1B
SCHEMBL20546960 0.76 KHK (0.35) STAT6IRAK4
SCHEMBL20547119 0.74 EGFR (0.43) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3290420-B1 PYRIMIDINE PYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF UNIV XIAMEN (CN) 2020-12-09 — — EP claimed
US-20180312508-A1 PYRIMIDOPYRROLE COMPOUNDS, METHOD FOR PREPARING THE SAME, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME AND USES THEREOF XIAMEN UNIVERSITY (CN) 2018-11-01 — — US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20180312508-A1 PYRIMIDOPYRROLE COMPOUNDS, METHOD FOR PREPARING THE SAME, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME AND USES THEREOF TPMT, DHPS, TYMP MAPT 3771/4885KDM4E 1889/4885ALDH1A1 364/4885

“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.

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