SCHEMBL20547121

SCHEMBL20547121

CSc1ccccc1CNc1nc(Nc2ccc(N3CCC(O)CC3)cc2)nc2ccn(C)c12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ STAT6 P42226 11/20 0.51
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ DCLK1 O15075 1/20 0.39
▸ LRRK2 Q5S007 1/20 0.39
▸ EGFR P00533 1/20 0.38
▸ ERBB3 P21860 1/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ CDK4 P11802 1/20 0.38
▸ CCNA2 P20248 1/20 0.38
▸ FGFR2 P21802 1/20 0.38
▸ FGFR4 P22455 1/20 0.38
▸ FGFR3 P22607 1/20 0.38
▸ CCND1 P24385 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ SYK P43405 1/20 0.38
▸ TNK2 Q07912 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ JAK3 P52333 1/20 0.37

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
SCHEMBL19921070 0.91 STAT6 (0.43) STAT6IRAK4DCLK1LRRK2EGFR
SCHEMBL22730041 0.87 IRAK4 (0.45) STAT6IRAK4DCLK1LRRK2EGFR
SCHEMBL19921166 0.85 STAT6 (0.53) STAT6IRAK4DCLK1LRRK2JAK2
SCHEMBL19921071 0.85 DCLK1 (0.47) STAT6DCLK1LRRK2TNK2JAK2
SCHEMBL19921119 0.83 PTK2 (0.46) STAT6IRAK4JAK2JAK3
SCHEMBL19921195 0.83 STAT6 (0.46) STAT6IRAK4FGFR1SYKTNK2
SCHEMBL22730040 0.79 IRAK4 (0.42) STAT6IRAK4DCLK1LRRK2EGFR
SCHEMBL19921178 0.79 PDE5A (0.49) STAT6
SCHEMBL19921198 0.78 ALK (0.51) EGFRTNK2JAK2JAK3
SCHEMBL19929901 0.77 BCHE (0.41) STAT6CDK2

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 STAT6 640/4885IRAK4 2164/4885DCLK1 2383/4885

“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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