SCHEMBL2227269

SCHEMBL2227269

NC(=O)c1ccc(-c2cnc(N)c(NC(=O)c3ccccc3)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 3/20 0.62
MKNK1 Q9BUB5 2/20 0.62
HDAC2 Q92769 7/20 0.56
HDAC1 Q13547 4/20 0.56
HDAC3 O15379 2/20 0.56
GSK3B P49841 1/20 0.55
MKNK2 Q9HBH9 1/20 0.52
PDCD1 Q15116 1/20 0.52
CD274 Q9NZQ7 1/20 0.52
FYN P06241 1/20 0.52
MAP4K4 O95819 2/20 0.51
PRKDC P78527 1/20 0.51
ATM Q13315 1/20 0.51
ATR Q13535 1/20 0.51

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
SCHEMBL18670976 0.81 LDHA (0.56) HDAC2HDAC1HDAC3GSK3BMAP4K4
SCHEMBL18670955 0.81 GSK3B (0.55) CHEK2MKNK1HDAC2HDAC1HDAC3
SCHEMBL18670971 0.80 GSK3B (0.53) HDAC2HDAC1HDAC3GSK3B
SCHEMBL3646469 0.80 HDAC1 (0.60) HDAC2HDAC1HDAC3GSK3B
SCHEMBL18670958 0.79 HDAC1 (0.71) HDAC2HDAC1HDAC3GSK3B
SCHEMBL18670987 0.79 HDAC1 (0.54) HDAC2HDAC1HDAC3GSK3B
SCHEMBL27810689 0.79 HDAC1 (0.53) HDAC2HDAC1HDAC3GSK3B
SCHEMBL4620246 0.77 CHEK2 (1.00) CHEK2MKNK1FYNMAP4K4
SCHEMBL12077792 0.76 CHEK2 (0.87) CHEK2MKNK1FYNMAP4K4
SCHEMBL3777895 0.76 HDAC1 (0.54) HDAC2HDAC1HDAC3GSK3B

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 8 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
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
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 CHEK2 4817/4885MKNK1 2043/4885HDAC2 3082/4885

“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.