SCHEMBL4977505

SCHEMBL4977505

O=S1(=O)CCN(Cc2ccc(Nc3nc(NC4CCCCC4)c4nc[nH]c4n3)c(Cl)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TTK P33981 17/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA1 P30542 1/20 0.39
PDE5A O76074 1/20 0.37
PDGFRA P16234 1/20 0.37
FLT3 P36888 1/20 0.37
PIK3CB P42338 1/20 0.36
MAPK8 P45983 1/20 0.36
PTK2 Q05397 1/20 0.36

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
SCHEMBL4975970 0.93 MERTK (0.43) TTKPDE5APDGFRAFLT3
SCHEMBL4972483 0.90 TTK (0.46) TTKADORA3ADORA1
SCHEMBL4766859 0.89 TTK (0.48) TTKADORA3PDGFRAFLT3PIK3CB
SCHEMBL10270818 0.89 TTK (0.49) TTKPIK3CBMAPK8PTK2
SCHEMBL4767272 0.85 TTK (0.39) TTKADORA3ADORA1
SCHEMBL4974126 0.84 TTK (0.45) TTK
SCHEMBL4977877 0.84 CSF1R (0.49) TTKPDGFRAFLT3
SCHEMBL4975631 0.84 TTK (0.43) TTKADORA3ADORA1PIK3CBMAPK8
SCHEMBL4977265 0.82 TTK (0.49) TTKPDGFRAFLT3
SCHEMBL4766802 0.81 TTK (0.50) TTKADORA3ADORA1FLT3

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 4589/4885ADORA3 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.