SCHEMBL2225501

SCHEMBL2225501

COc1ncc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)cn1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.75
FYN P06241 6/20 0.72
MAP4K4 O95819 6/20 0.68
MINK1 Q8N4C8 2/20 0.68
TNIK Q9UKE5 1/20 0.68
PIK3CA P42336 1/20 0.65
PI4KB Q9UBF8 1/20 0.65
RIPK2 O43353 2/20 0.59
CHEK2 O96017 1/20 0.49
VRK2 Q86Y07 1/20 0.48
NOD2 Q9HC29 1/20 0.48

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 0.87 MAP4K4 (0.86) KCNH2FYNMAP4K4MINK1TNIK
SCHEMBL2227734 0.86 MAP4K4 (0.75) KCNH2FYNMAP4K4MINK1TNIK
SCHEMBL2224148 0.86 KCNH2 (1.00) KCNH2FYNMAP4K4MINK1TNIK
SCHEMBL13968173 0.85 MAP4K4 (0.73) KCNH2FYNMAP4K4MINK1TNIK
SCHEMBL2227035 0.84 MAP4K4 (0.71) KCNH2FYNMAP4K4MINK1TNIK
SCHEMBL20485755 0.84 FYN (1.00) KCNH2FYNMAP4K4MINK1TNIK
SCHEMBL2226479 0.83 KCNH2 (0.90) KCNH2FYNMAP4K4MINK1TNIK
SCHEMBL2226484 0.82 MAP4K4 (0.78) KCNH2FYNMAP4K4MINK1TNIK
SCHEMBL2226014 0.82 MAP4K4 (0.78) KCNH2FYNMAP4K4MINK1TNIK
SCHEMBL30521759 0.82 FYN (1.00) KCNH2FYNMAP4K4MINK1TNIK

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
CN-102812006-A New anti-malarial agents MEDICINES FOR MALARIA VENTURE MMV 2012-12-05 CN 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
CN-102812006-A New anti-malarial agents MEDICINES FOR MALARIA VENTURE MMV 2012-12-05 CN 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 KCNH2 1101/4885FYN 3839/4885MAP4K4 1556/4885

“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.