SCHEMBL2225432

SCHEMBL2225432

COc1ccc(-c2cc(-c3ccc(C(=O)NCCCO)cc3)cnc2N)cn1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.56
FYN P06241 6/20 0.54
MAP4K4 O95819 5/20 0.54
CHEK2 O96017 4/20 0.54
CD274 Q9NZQ7 1/20 0.51
MINK1 Q8N4C8 1/20 0.50
TNIK Q9UKE5 1/20 0.50
CHEK1 O14757 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
SCHEMBL13968131 0.86 MAP4K4 (0.54) FYNMAP4K4CHEK2MINK1TNIK
SCHEMBL2225323 0.83 KCNH2 (0.63) KCNH2FYNMAP4K4CHEK2MINK1
SCHEMBL2227774 0.83 CD274 (0.67) KCNH2FYNCD274
SCHEMBL2225332 0.81 CD274 (0.81) KCNH2CD274
SCHEMBL2225948 0.81 FYN (0.76) KCNH2FYNMAP4K4CHEK2MINK1
SCHEMBL2224203 0.80 CHEK2 (0.77) KCNH2FYNMAP4K4CHEK2CHEK1
SCHEMBL2224592 0.80 MAP4K4 (0.77) KCNH2FYNMAP4K4CHEK2
SCHEMBL12518231 0.79 MAP4K4 (0.58) KCNH2FYNMAP4K4CHEK2MINK1
SCHEMBL1679148 0.77 PRKD3 (0.72) KCNH2FYNMAP4K4CHEK2CHEK1
SCHEMBL2226928 0.77 KCNH2 (0.66) KCNH2FYNMAP4K4CHEK2CHEK1

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-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
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.