SCHEMBL3702883

SCHEMBL3702883

CCN1CCC(c2ccc(Nc3nc(NC4CCCCC4)c4nc[nH]c4n3)c(C)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TTK P33981 17/20 0.48
ADORA3 P0DMS8 2/20 0.44
ADORA1 P30542 1/20 0.44
AXL P30530 1/20 0.38
MERTK Q12866 1/20 0.38

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
SCHEMBL4766889 0.90 TTK (0.50) TTK
SCHEMBL4766824 0.86 TTK (0.48) TTKADORA3ADORA1AXLMERTK
SCHEMBL4764882 0.85 TTK (0.46) TTKADORA3ADORA1AXLMERTK
SCHEMBL4979256 0.84 TTK (0.53) TTKADORA3ADORA1
SCHEMBL4764846 0.83 TTK (0.45) TTKADORA3ADORA1AXLMERTK
SCHEMBL4766915 0.82 TTK (0.48) TTK
SCHEMBL3257555 0.82 TTK (0.49) TTK
SCHEMBL4766802 0.82 TTK (0.50) TTKADORA3ADORA1AXLMERTK
SCHEMBL3697853 0.81 TTK (0.66) TTK
SCHEMBL4975330 0.80 TTK (0.46) TTKADORA3ADORA1AXLMERTK

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 2 patents. 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
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 4589/4885ADORA3 1744/4885ADORA1 2771/4885

“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.