SCHEMBL19921154

SCHEMBL19921154

Cn1ccc2nc(Nc3ccc(S(N)(=O)=O)cc3)nc(NCc3ccccc3S(C)(=O)=O)c21

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 3/20 0.49
▸ STAT6 P42226 1/20 0.45
▸ PTK2 Q05397 5/20 0.43
▸ JAK3 P52333 4/20 0.43
▸ JAK2 O60674 3/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ CA1 P00915 7/20 0.41
▸ CA2 P00918 7/20 0.41
▸ CA9 Q16790 7/20 0.41
▸ CA12 O43570 4/20 0.41
▸ CA14 Q9ULX7 2/20 0.41

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
SCHEMBL19921147 0.90 PDE5A (0.47) PDE5APTK2CA1CA2CA9
SCHEMBL19921178 0.86 PDE5A (0.49) PDE5ASTAT6PTK2CA1CA2
SCHEMBL19921180 0.85 ALK (0.46) PDE5APTK2JAK3JAK2CA1
SCHEMBL19921146 0.84 PTK2 (0.62) PDE5ASTAT6PTK2JAK3JAK2
SCHEMBL20546911 0.84 PDE5A (0.47) PDE5APTK2CA1CA2CA9
SCHEMBL19921166 0.81 STAT6 (0.53) STAT6PTK2JAK3JAK2JAK1
SCHEMBL19921177 0.77 PDE5A (0.44) PDE5APTK2CA1CA2CA9
SCHEMBL20546907 0.77 STAT6 (0.38) STAT6PTK2JAK3JAK2JAK1
SCHEMBL19921129 0.76 PDE5A (0.46) PDE5ACA1CA2CA9CA12
SCHEMBL19921188 0.75 PTK2 (0.52) PDE5ASTAT6PTK2JAK3JAK2

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 PDE5A 219/4885STAT6 640/4885PTK2 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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