SCHEMBL2227503

SCHEMBL2227503

CNC(=O)c1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)cnc2N)cc1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 11/20 0.76
FYN P06241 4/20 0.70
MINK1 Q8N4C8 3/20 0.70
TNIK Q9UKE5 2/20 0.70
CHEK2 O96017 3/20 0.65
KCNH2 Q12809 2/20 0.63
PIK3CA P42336 1/20 0.63
PI4KB Q9UBF8 1/20 0.63
IKBKB O14920 1/20 0.53
MKNK1 Q9BUB5 1/20 0.52

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
SCHEMBL2225807 0.86 MAP4K4 (1.00) MAP4K4FYNMINK1TNIKCHEK2
SCHEMBL2227291 0.86 MAP4K4 (0.86) MAP4K4FYNMINK1TNIKCHEK2
SCHEMBL2225202 0.82 FYN (1.00) MAP4K4FYNMINK1TNIKCHEK2
SCHEMBL30521788 0.82 FYN (1.00) MAP4K4FYNMINK1TNIKCHEK2
SCHEMBL2226484 0.81 MAP4K4 (0.78) MAP4K4FYNMINK1TNIKCHEK2
SCHEMBL2226014 0.81 MAP4K4 (0.78) MAP4K4FYNMINK1TNIKKCNH2
SCHEMBL2223417 0.80 MAP4K4 (0.76) MAP4K4FYNMINK1TNIKKCNH2
SCHEMBL2225323 0.80 KCNH2 (0.63) MAP4K4FYNMINK1TNIKCHEK2
SCHEMBL2227734 0.79 MAP4K4 (0.75) MAP4K4FYNMINK1TNIKKCNH2
SCHEMBL27902096 0.79 CHEK2 (0.62) MAP4K4FYNMINK1TNIKCHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102812006-B Novel antimalaria reagent MMV MEDICINES FOR MALARIA VENTURE (CH) 2016-01-20 CN claimed
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
CN-102812006-B Novel antimalaria reagent MMV MEDICINES FOR MALARIA VENTURE (CH) 2016-01-20 CN disclosed
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
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
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 1556/4885FYN 3839/4885MINK1 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.