SCHEMBL19921068

SCHEMBL19921068

COC(=O)c1cccc(Nc2nc(Nc3ccc(N4CCC(O)CC4)cc3)nc3ccn(C)c23)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 2/20 0.48
▸ BRD4 O60885 10/20 0.44
▸ PLK1 P53350 1/20 0.42
▸ EGFR P00533 1/20 0.42
▸ SRC P12931 1/20 0.42
▸ TEC P42680 1/20 0.42
▸ SLK Q9H2G2 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SYK P43405 3/20 0.41
▸ BPTF Q12830 1/20 0.41
▸ BRD2 P25440 1/20 0.40
▸ BRD3 Q15059 1/20 0.40
▸ STAT6 P42226 1/20 0.40

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
SCHEMBL19921150 0.84 PLK1 (0.46) IRAK4PLK1EGFRSYKSTAT6
SCHEMBL19921152 0.82 EGFR (0.50) EGFR
SCHEMBL19921105 0.81 LMNA (0.44) BRD4LMNATP53TSHRMAPK1
SCHEMBL19929900 0.80 MAPK1 (0.52) IRAK4BRD4SRCLMNATP53
SCHEMBL19921145 0.78 DCLK1 (0.43) IRAK4PLK1EGFRMAPK1SYK
SCHEMBL19921167 0.77 PTK2 (0.51) IRAK4BRD4EGFR
SCHEMBL22730041 0.77 IRAK4 (0.45) IRAK4BRD4PLK1EGFRSYK
SCHEMBL21099506 0.77 IRAK4 (0.53) IRAK4BRD4EGFRSRCTEC
SCHEMBL19921085 0.77 PTK2 (0.56) EGFR
SCHEMBL19921195 0.76 STAT6 (0.46) IRAK4SRCSYKSTAT6

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 3 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
EP-3290420-A1 PYRIMIDINE PYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF Xiamen University (CN) 2018-03-07 — — EP 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 IRAK4 2164/4885BRD4 2933/4885PLK1 1557/4885

“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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