SCHEMBL4764882

SCHEMBL4764882

CCN1CCC(COc2ccc(Nc3nc(NC4CCCCC4)c4nc[nH]c4n3)c(C)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TTK P33981 18/20 0.46
AXL P30530 1/20 0.43
MERTK Q12866 1/20 0.43
ADORA3 P0DMS8 1/20 0.40
ADORA1 P30542 1/20 0.40

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
SCHEMBL4764846 0.87 TTK (0.45) TTKAXLMERTKADORA3ADORA1
SCHEMBL3702883 0.85 TTK (0.48) TTKAXLMERTKADORA3ADORA1
SCHEMBL4766824 0.84 TTK (0.48) TTKAXLMERTKADORA3ADORA1
SCHEMBL4764869 0.82 TTK (0.54) TTK
SCHEMBL2946038 0.82 AXL (0.47) TTKAXLMERTKADORA3ADORA1
SCHEMBL4766802 0.79 TTK (0.50) TTKAXLMERTKADORA3ADORA1
SCHEMBL3703315 0.79 AXL (0.50) TTKAXLMERTKADORA3ADORA1
SCHEMBL4766889 0.79 TTK (0.50) TTK
SCHEMBL2946536 0.79 AXL (0.44) TTKAXLMERTKADORA3ADORA1
SCHEMBL3708079 0.78 TTK (0.46) TTKAXLMERTKADORA3ADORA1

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 TTK 4589/4885AXL 2976/4885MERTK 1662/4885

“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.