SCHEMBL2224558

SCHEMBL2224558

Nc1ncc(Br)cc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 3/20 0.57
PLA2G1B P04054 1/20 0.47
ATG4B Q9Y4P1 1/20 0.47
KCNH2 Q12809 4/20 0.46
USP7 Q93009 3/20 0.46
TRPV1 Q8NER1 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
KIF11 P52732 1/20 0.43
PIK3CA P42336 1/20 0.41
MINK1 Q8N4C8 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
JAK2 O60674 1/20 0.40
DGAT1 O75907 1/20 0.40
CLK1 P49759 2/20 0.39
PDGFRB P09619 1/20 0.39
KDR P35968 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
ALOX5AP P20292 1/20 0.39

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
SCHEMBL3146889 0.83 ADORA2A (0.52) MAP4K4PLA2G1BATG4BKMT2APIK3CA
SCHEMBL12489163 0.81 USP7 (0.53) MAP4K4KCNH2USP7HTTKMT2A
SCHEMBL8981695 0.81 MAP4K4 (0.57) MAP4K4KCNH2USP7KIF11PIK3CA
SCHEMBL26916746 0.80 FYN (0.53) MAP4K4KCNH2USP7HTTKMT2A
SCHEMBL29582823 0.80 FYN (0.53) MAP4K4KCNH2USP7HTTKMT2A
SCHEMBL2228665 0.80 USP7 (0.71) MAP4K4USP7HTTKMT2AMINK1
SCHEMBL23796141 0.79 MAP4K4 (0.46) MAP4K4PLA2G1BATG4BKCNH2USP7
SCHEMBL13968119 0.78 MAP4K4 (0.54) MAP4K4USP7HTTKMT2A
SCHEMBL29857960 0.78 MAP4K4 (0.54) MAP4K4USP7HTTKMT2A
SCHEMBL15359055 0.78 USP7 (0.60) MAP4K4USP7HTTKMT2AMINK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 1556/4885PLA2G1B 2349/4885ATG4B 1823/4885

“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.