SCHEMBL13837101

SCHEMBL13837101

COc1ccc(-c2cc(-c3ccc(C4CN(C)CCN4C=O)cc3)cnc2N)cn1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.59
FYN P06241 6/20 0.45
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAP4K4 O95819 3/20 0.40
CHEK2 O96017 1/20 0.40
TGFBR1 P36897 2/20 0.39
ACVR1 Q04771 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
SCHEMBL17004641 0.77 KCNH2 (0.51) KCNH2FYNMAP4K4CHEK2TGFBR1
SCHEMBL13837104 0.74 KCNH2 (1.00) KCNH2FYNMAP4K4CHEK2TGFBR1
SCHEMBL12517982 0.73 KCNH2 (1.00) KCNH2FYN
SCHEMBL2226033 0.73 FYN (0.76) KCNH2FYNMAP4K4CHEK2TGFBR1
SCHEMBL12516844 0.72 KCNH2 (0.77) KCNH2FYNMAP4K4CHEK2
SCHEMBL13837178 0.71 KCNH2 (0.70) KCNH2FYNMAP4K4CHEK2TGFBR1
SCHEMBL27902100 0.71 KCNH2 (0.70) KCNH2FYNMAP4K4CHEK2TGFBR1
SCHEMBL28775974 0.70 KDM4E (0.39)
SCHEMBL18394286 0.69 PDE4B (0.37)
Methylpiperazine SCHEMBL17004635 0.69 KCNH2 (0.71) KCNH2FYNTGFBR1ACVR1

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 4 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-20120295905-A1 NEW ANTI-MALARIAL AGENTS MMV MEDICINES FOR MALARIA VENTURE (CH) 2012-11-22 US claimed
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

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 3839/4885KDM1A 831/4885

“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.