SCHEMBL2227172

SCHEMBL2227172

CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(F)nc3)c2)cc1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 8/20 0.74
KCNH2 Q12809 5/20 0.74
MINK1 Q8N4C8 3/20 0.74
PIK3CA P42336 1/20 0.74
PI4KB Q9UBF8 1/20 0.74
FYN P06241 4/20 0.74
TNIK Q9UKE5 2/20 0.74
VRK2 Q86Y07 1/20 0.58
RIPK2 O43353 1/20 0.52
PTGS2 P35354 1/20 0.51
USP7 Q93009 1/20 0.50

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
SCHEMBL2227291 0.89 MAP4K4 (0.86) MAP4K4KCNH2MINK1PIK3CAPI4KB
SCHEMBL2226484 0.86 MAP4K4 (0.78) MAP4K4KCNH2MINK1PIK3CAPI4KB
Mmv-048 SCHEMBL2225969 0.85 KCNH2 (1.00) MAP4K4KCNH2MINK1PIK3CAPI4KB
Mmv-048 SCHEMBL29413286 0.85 KCNH2 (1.00) MAP4K4KCNH2MINK1PIK3CAPI4KB
Mmv-048 SCHEMBL29575216 0.85 KCNH2 (1.00) MAP4K4KCNH2MINK1PIK3CAPI4KB
SCHEMBL2223417 0.85 MAP4K4 (0.76) MAP4K4KCNH2MINK1PIK3CAPI4KB
SCHEMBL30521788 0.85 FYN (1.00) MAP4K4KCNH2MINK1PIK3CAPI4KB
SCHEMBL2225202 0.85 FYN (1.00) MAP4K4KCNH2MINK1PIK3CAPI4KB
SCHEMBL2227734 0.85 MAP4K4 (0.75) MAP4K4KCNH2MINK1PIK3CAPI4KB
SCHEMBL13968173 0.83 MAP4K4 (0.73) MAP4K4KCNH2MINK1PIK3CAPI4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2526090-B1 NEW ANTI-MALARIAL AGENTS MEDICINES FOR MALARIA VENTURE MMV (CH) 2015-08-19 EP claimed
US-9024033-B2 Anti-malarial agents MMV MEDICINES FOR MALARIA VENTURE (CH) 2015-05-05 US claimed
US-20120295905-A1 NEW ANTI-MALARIAL AGENTS MMV MEDICINES FOR MALARIA VENTURE (CH) 2012-11-22 US claimed
WO-2011086531-A2 NEW ANTI-MALARIAL AGENTS MMV MEDICINES FOR MALARIA VENTURE (CH) 2011-07-21 WO claimed
EP-2526090-B1 NEW ANTI-MALARIAL AGENTS MEDICINES FOR MALARIA VENTURE MMV (CH) 2015-08-19 EP disclosed
EP-2526090-B1 NEW ANTI-MALARIAL AGENTS MEDICINES FOR MALARIA VENTURE MMV (CH) 2015-08-19 EP disclosed
US-9024033-B2 Anti-malarial agents MMV MEDICINES FOR MALARIA VENTURE (CH) 2015-05-05 US disclosed
US-9024033-B2 Anti-malarial agents MMV MEDICINES FOR MALARIA VENTURE (CH) 2015-05-05 US disclosed
US-9024033-B2 Anti-malarial agents MMV MEDICINES FOR MALARIA VENTURE (CH) 2015-05-05 US disclosed
US-20120295905-A1 NEW ANTI-MALARIAL AGENTS MMV MEDICINES FOR MALARIA VENTURE (CH) 2012-11-22 US disclosed
US-20120295905-A1 NEW ANTI-MALARIAL AGENTS MMV MEDICINES FOR MALARIA VENTURE (CH) 2012-11-22 US disclosed
WO-2011086531-A2 NEW ANTI-MALARIAL AGENTS MMV MEDICINES FOR MALARIA VENTURE (CH) 2011-07-21 WO 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-20120295905-A1 NEW ANTI-MALARIAL AGENTS QDPR, DHFR, ITPA MAP4K4 1556/4885KCNH2 1101/4885MINK1 1827/4885

“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.