SCHEMBL19921116

SCHEMBL19921116

Nc1nc(NC2CC2)c2c(ccn2-c2ccc(S(N)(=O)=O)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 8/20 0.40
▸ SYK P43405 4/20 0.40
▸ CYP2D6 P10635 1/20 0.38
▸ CCNA2 P20248 2/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ CCNA1 P78396 2/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ TYK2 P29597 1/20 0.36
▸ CA12 O43570 3/20 0.36
▸ CA1 P00915 3/20 0.36
▸ CA2 P00918 3/20 0.36
▸ CA9 Q16790 3/20 0.36
▸ GHSR Q92847 1/20 0.35
▸ AURKA O14965 1/20 0.35

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
SCHEMBL19921172 0.83 CYP2D6 (0.41) CYP2D6CA12CA1CA2CA9
SCHEMBL20546889 0.75 JAK2 (0.38) IRAK4CYP2D6CA12CA1CA2
SCHEMBL20546907 0.73 STAT6 (0.38) JAK1CA12CA1CA2CA9
SCHEMBL20546930 0.72 CDK7 (0.39) —
SCHEMBL20546939 0.72 CA1 (0.43) CCNA2CDK2CA12CA1CA2
SCHEMBL20546957 0.72 CA2 (0.40) CA12CA1CA2CA9
SCHEMBL20546906 0.71 TLR7 (0.35) CA12CA1CA2CA9
SCHEMBL19921111 0.70 TLR7 (0.35) CA12CA1CA2CA9
SCHEMBL4367874 0.67 PTGS1 (0.48) SYKCDK2CA12CA1CA2
SCHEMBL20546169 0.66 IRAK4 (0.38) IRAK4SYKCDK2

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 IRAK4 2164/4885SYK 403/4885CYP2D6 32/4885

“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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