SCHEMBL19921119

SCHEMBL19921119

CC(C)S(=O)(=O)c1ccccc1CNc1nc(Nc2ccc(N3CCC(O)CC3)cc2)nc2ccn(C)c12

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 7/20 0.46
▸ STAT6 P42226 4/20 0.44
▸ TTK P33981 2/20 0.43
▸ FES P07332 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ JAK2 O60674 2/20 0.42
▸ JAK3 P52333 2/20 0.42
▸ ALK Q9UM73 2/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.39
▸ BRD4 O60885 1/20 0.38

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
SCHEMBL19921166 0.92 STAT6 (0.53) PTK2STAT6JAK2JAK3IRAK4
SCHEMBL19921188 0.91 PTK2 (0.52) PTK2STAT6JAK2JAK3BRD4
SCHEMBL19921159 0.88 PTK2 (0.58) PTK2TTKFESFLT3JAK2
SCHEMBL21150147 0.85 IRAK4 (0.54) PTK2STAT6TTKFESFLT3
SCHEMBL19921070 0.85 STAT6 (0.43) STAT6JAK2JAK3IRAK4
SCHEMBL20547121 0.83 STAT6 (0.51) STAT6JAK2JAK3IRAK4
SCHEMBL19921147 0.82 PDE5A (0.47) PTK2
SCHEMBL19921146 0.82 PTK2 (0.62) PTK2STAT6JAK2JAK3ALK
SCHEMBL19921189 0.81 TTK (0.39) PTK2STAT6TTKFESFLT3
SCHEMBL19921167 0.81 PTK2 (0.51) PTK2TTKFESFLT3JAK2

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 PTK2 4325/4885STAT6 640/4885TTK 1018/4885

“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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