SCHEMBL4766693

SCHEMBL4766693

Clc1cc(OCCN2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2nc[nH]c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTK P33981 12/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PIM1 P11309 1/20 0.44
FLT3 P36888 1/20 0.44
PIM3 Q86V86 1/20 0.44
BAD Q92934 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
PIK3CB P42338 1/20 0.43
MAPK8 P45983 1/20 0.43
PTK2 Q05397 1/20 0.43
EPHX2 P34913 1/20 0.42
ADORA3 P0DMS8 3/20 0.42
MEN1 O00255 1/20 0.42
AURKA O14965 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL4764869 0.91 TTK (0.54) TTKPIK3CBMAPK8PTK2
SCHEMBL4766859 0.86 TTK (0.48) TTKFLT3PIK3CBMAPK8PTK2
SCHEMBL4766501 0.83 TTK (0.62) TTKPIK3CBMAPK8PTK2ADORA3
SCHEMBL4766975 0.82 TTK (0.46) TTKPIK3CBMAPK8PTK2ADORA3
SCHEMBL4977877 0.81 CSF1R (0.49) TTKFLT3AURKAAURKB
SCHEMBL4977265 0.79 TTK (0.49) TTKFLT3
SCHEMBL3702420 0.79 TTK (0.69) TTKPIK3CBMAPK8PTK2
SCHEMBL4769033 0.78 TTK (0.49) TTKKDM4EALDH1A1PIK3CBMAPK8
SCHEMBL4974890 0.78 TTK (0.58) TTKPIK3CBMAPK8PTK2
SCHEMBL4766540 0.78 TTK (0.57) TTKPIK3CBMAPK8PTK2ADORA3

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 4589/4885KDM4E 3146/4885ALDH1A1 238/4885

“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.