SCHEMBL13036715

SCHEMBL13036715

COC(=O)NC/C=C\c1cnc(N)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNA6 P17658 9/20 0.61
KCNA3 P22001 9/20 0.61
KCNA4 P22459 9/20 0.61
KCNA5 P22460 3/20 0.59
NT5E P21589 2/20 0.59
KCNA2 P16389 1/20 0.59
MAP2K1 Q02750 1/20 0.59
MAPKAPK2 P49137 2/20 0.31
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL13074314 0.75 KCNA6 (0.52) KCNA6KCNA3KCNA4KCNA5NT5E
Oroidin SCHEMBL13036738 0.75 KCNA6 (1.00) KCNA6KCNA3KCNA4KCNA5NT5E
Clathrodin SCHEMBL13036741 0.75 NT5E (1.00) KCNA6KCNA3KCNA4KCNA5NT5E
Oroidin SCHEMBL13036750 0.75 KCNA6 (1.00) KCNA6KCNA3KCNA4KCNA5NT5E
Clathrodin SCHEMBL13036737 0.75 NT5E (1.00) KCNA6KCNA3KCNA4KCNA5NT5E
SCHEMBL13036733 0.74 KCNA6 (1.00) KCNA6KCNA3KCNA4KCNA5NT5E
SCHEMBL21182348 0.74 KCNA6 (1.00) KCNA6KCNA3KCNA4KCNA5NT5E
SCHEMBL3586492 0.72 KCNA6 (0.34) KCNA6KCNA3KCNA4KCNA5NT5E
SCHEMBL3586489 0.72 KCNA6 (0.34) KCNA6KCNA3KCNA4KCNA5NT5E
SCHEMBL12598151 0.70 AOC1 (0.48) KCNA6KCNA3KCNA4KCNA5NT5E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838681-B2 Synthesis of substituted heterocyclic compounds CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2010-11-23 US disclosed
US-20070106077-A1 Synthesis of substituted heterocyclic compounds UNIVERSITE DE PARIS SUD (FR) 2007-05-10 US disclosed
US-20070106077-A1 Synthesis of substituted heterocyclic compounds UNIVERSITE DE PARIS SUD (FR) 2007-05-10 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-20070106077-A1 Synthesis of substituted heterocyclic compounds CBR1, CORO1C, CYCS KCNA6 3183/4885KCNA3 2480/4885KCNA4 2994/4885

“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.