SCHEMBL20585436

SCHEMBL20585436

Cc1ccc(S(=O)(=O)n2cc(C(N)=O)c3cc(B4OC(C)(C)C(C)(C)O4)cnc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 1/20 0.40
▸ PDGFRB P09619 4/20 0.35
▸ KDR P35968 4/20 0.35
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ CA1 P00915 4/20 0.33
▸ CA2 P00918 4/20 0.33
▸ CA9 Q16790 4/20 0.33
▸ ALOX5 P09917 3/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ CA12 O43570 1/20 0.33
▸ HIF1A Q16665 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32

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
SCHEMBL15155124 0.86 PTPN11 (0.38) PTPN11PDGFRBKDRGSK3AGSK3B
SCHEMBL11968458 0.79 PTPN11 (0.44) PTPN11PDGFRBKDRGSK3AGSK3B
SCHEMBL1516682 0.79 PTPN11 (0.40) PTPN11PDGFRBKDRGSK3AGSK3B
SCHEMBL30280427 0.78 PTPN11 (0.47) PTPN11PDGFRBKDRCA1CA2
SCHEMBL11968450 0.78 PTPN11 (0.40) PTPN11GSK3AGSK3BBRD4L3MBTL1
SCHEMBL12762888 0.78 PTPN11 (0.40) PTPN11PDGFRBKDRGSK3AGSK3B
SCHEMBL31435950 0.78 PTPN11 (0.47) PTPN11PDGFRBKDRGSK3AGSK3B
SCHEMBL11968501 0.77 PTPN11 (0.39) PTPN11PDGFRBKDRGSK3AGSK3B
SCHEMBL31436019 0.77 PTPN11 (0.46) PTPN11PDGFRBKDRBRD4KMT2A
SCHEMBL1516665 0.77 TSHR (0.44) PTPN11BRD4MEN1KMT2AL3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180362526-A1 1H-PYRROLO [2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS VERNALIS DEVELOPMENT LIMITED (GB) 2018-12-20 — — US disclosed

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-20180362526-A1 1H-PYRROLO [2,3-B] PYRIDINE DERIVATIVES AND THEIR USE AS KINASE INHIBITORS MAP4K2, MAP3K1, MAP3K19 PTPN11 525/4885PDGFRB 417/4885KDR 651/4885

“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.

Send feedback