SCHEMBL4974648

SCHEMBL4974648

Cc1cc(C(C)(C)N2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2nc[nH]c2n1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TTK P33981 18/20 0.58
PIK3CB P42338 1/20 0.46
MAPK8 P45983 1/20 0.46
PTK2 Q05397 1/20 0.46
ADORA3 P0DMS8 3/20 0.45
MEN1 O00255 1/20 0.45
AURKA O14965 1/20 0.45
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
JAK3 P52333 1/20 0.45
KMT2A Q03164 1/20 0.45
AURKB Q96GD4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
AURKC Q9UQB9 1/20 0.45

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
SCHEMBL4975300 0.95 TTK (0.51) TTKPIK3CBMAPK8PTK2ADORA3
SCHEMBL4976131 0.91 TTK (0.58) TTKPIK3CBMAPK8PTK2
SCHEMBL4767056 0.86 TTK (0.53) TTKPIK3CBMAPK8PTK2ADORA3
SCHEMBL2946927 0.86 TTK (0.77) TTKPIK3CBMAPK8PTK2ADORA3
SCHEMBL29446172 0.86 TTK (0.77) TTKPIK3CBMAPK8PTK2ADORA3
SCHEMBL10271078 0.85 TTK (0.49) TTKADORA3
SCHEMBL4766540 0.84 TTK (0.57) TTKPIK3CBMAPK8PTK2ADORA3
SCHEMBL4975591 0.83 TTK (0.49) TTKPIK3CBMAPK8PTK2
SCHEMBL3706140 0.83 TTK (0.69) TTKPIK3CBMAPK8PTK2ADORA3
SCHEMBL4766549 0.83 TTK (0.58) TTK

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 4589/4885PIK3CB 2268/4885MAPK8 4343/4885

“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.