SCHEMBL19921129

SCHEMBL19921129

CSc1ccccc1Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nc2ccn(C)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ AURKA O14965 2/20 0.43
▸ AURKB Q96GD4 2/20 0.43
▸ CA1 P00915 14/20 0.43
▸ CA2 P00918 14/20 0.43
▸ CA9 Q16790 14/20 0.43
▸ CA12 O43570 8/20 0.43
▸ CA14 Q9ULX7 4/20 0.43
▸ CA4 P22748 3/20 0.43
▸ CA6 P23280 3/20 0.43
▸ CA7 P43166 3/20 0.43
▸ CA13 Q8N1Q1 3/20 0.43
▸ CA5A P35218 2/20 0.43
▸ ABL1 P00519 1/20 0.40
▸ PIK3CD O00329 1/20 0.39
▸ DCLK1 O15075 1/20 0.39
▸ PIK3C2G O75747 1/20 0.39
▸ PIK3CG P48736 1/20 0.39
▸ MAPK7 Q13164 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
SCHEMBL19921180 0.86 ALK (0.46) PDE5AAURKAAURKBCA1CA2
SCHEMBL19921178 0.86 PDE5A (0.49) PDE5ACA1CA2CA9CA12
SCHEMBL19921177 0.84 PDE5A (0.44) PDE5AAURKAAURKBCA1CA2
SCHEMBL19929884 0.80 PTK2 (0.37) —
SCHEMBL19921135 0.80 CCNK (0.50) AURKA
SCHEMBL19929867 0.79 PTK2 (0.36) ALDH1A1
SCHEMBL20546911 0.78 PDE5A (0.47) PDE5ACA1CA2CA9CA12
SCHEMBL22730041 0.77 IRAK4 (0.45) DCLK1LRRK2
SCHEMBL22754173 0.76 IRAK4 (0.35) —
SCHEMBL19921154 0.76 PDE5A (0.49) PDE5ACA1CA2CA9CA12

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 219/4885ALDH1A1 364/4885AURKA 1765/4885

“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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