SCHEMBL19921147

SCHEMBL19921147

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 6/20 0.47
▸ CA1 P00915 10/20 0.41
▸ CA2 P00918 10/20 0.41
▸ CA9 Q16790 10/20 0.41
▸ CA12 O43570 6/20 0.39
▸ CA14 Q9ULX7 3/20 0.39
▸ CA4 P22748 1/20 0.38
▸ CA6 P23280 1/20 0.38
▸ CA5A P35218 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ CA13 Q8N1Q1 1/20 0.38
▸ PTK2 Q05397 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
SCHEMBL19921154 0.90 PDE5A (0.49) PDE5ACA1CA2CA9CA12
SCHEMBL19921177 0.86 PDE5A (0.44) PDE5ACA1CA2CA9CA12
SCHEMBL20546911 0.85 PDE5A (0.47) PDE5ACA1CA2CA9CA12
SCHEMBL19921188 0.85 PTK2 (0.52) PDE5APTK2
SCHEMBL19921178 0.84 PDE5A (0.49) PDE5ACA1CA2CA9CA12
SCHEMBL19921119 0.82 PTK2 (0.46) PTK2
SCHEMBL20546906 0.78 TLR7 (0.35) CA1CA2CA9CA12
SCHEMBL19921180 0.77 ALK (0.46) PDE5ACA1CA2CA9CA12
SCHEMBL19921146 0.75 PTK2 (0.62) PDE5APTK2
SCHEMBL19921107 0.74 ALK (0.57) PTK2

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 219/4885CA1 3128/4885CA2 2581/4885

“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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