SCHEMBL19921166

SCHEMBL19921166

Cn1ccc2nc(Nc3ccc(N4CCC(O)CC4)cc3)nc(NCc3ccccc3S(C)(=O)=O)c21

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ STAT6 P42226 4/20 0.53
▸ JAK3 P52333 10/20 0.51
▸ PTK2 Q05397 10/20 0.51
▸ JAK2 O60674 9/20 0.51
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ BRD4 O60885 1/20 0.40
▸ DCLK1 O15075 1/20 0.39
▸ LRRK2 Q5S007 1/20 0.39
▸ JAK1 P23458 1/20 0.39

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
SCHEMBL19921119 0.92 PTK2 (0.46) STAT6JAK3PTK2JAK2IRAK4
SCHEMBL19921146 0.90 PTK2 (0.62) STAT6JAK3PTK2JAK2BRD4
SCHEMBL19921167 0.88 PTK2 (0.51) JAK3PTK2JAK2IRAK4BRD4
SCHEMBL19921122 0.85 PLK4 (0.47) STAT6JAK3PTK2JAK2IRAK4
SCHEMBL20547121 0.85 STAT6 (0.51) STAT6JAK3JAK2IRAK4DCLK1
SCHEMBL19867315 0.84 IRAK4 (0.56) STAT6JAK3PTK2JAK2IRAK4
SCHEMBL19921070 0.83 STAT6 (0.43) STAT6JAK3JAK2IRAK4DCLK1
SCHEMBL19921195 0.82 STAT6 (0.46) STAT6JAK3JAK2IRAK4
SCHEMBL19921188 0.82 PTK2 (0.52) STAT6JAK3PTK2JAK2BRD4
SCHEMBL19921154 0.81 PDE5A (0.49) STAT6JAK3PTK2JAK2JAK1

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 STAT6 640/4885JAK3 112/4885PTK2 4325/4885

“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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