SCHEMBL3698297

SCHEMBL3698297

CCNC(=O)N1CCN(c2ccc(Nc3nc(NC4CCCCC4)c4ncnc-4[nH]3)c(OC)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 6/20 0.56
TTK P33981 14/20 0.49

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
SCHEMBL2956395 0.92 ALK (0.47) ALKTTK
SCHEMBL3702747 0.90 TTK (0.52) ALKTTK
SCHEMBL2949077 0.88 TTK (0.48) TTK
SCHEMBL3699208 0.87 TTK (0.47) ALKTTK
SCHEMBL2953043 0.84 TTK (0.54) ALKTTK
SCHEMBL3024756 0.83 TTK (0.44) TTK
SCHEMBL2955059 0.83 TTK (0.48) TTK
SCHEMBL2953124 0.83 TTK (0.51) ALKTTK
SCHEMBL3704347 0.82 TTK (0.52) ALKTTK
SCHEMBL3711875 0.82 TTK (0.53) ALKTTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 ALK 2060/4885TTK 4589/4885

“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.