SCHEMBL3135141

SCHEMBL3135141

COc1cc(C2CCN(CCCS(=O)(=O)N3CCOCC3)CC2)ccc1Nc1nc(NC2CCCCC2)c2nc[nH]c2n1

nearest known ligand 0.65

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TTK P33981 16/20 0.65
PIK3CB P42338 1/20 0.47
MAPK8 P45983 1/20 0.47
PTK2 Q05397 1/20 0.47
LRRK2 Q5S007 1/20 0.43
EGFR P00533 1/20 0.41
IGF1R P08069 2/20 0.41
GRK2 P25098 1/20 0.41
GRK5 P34947 1/20 0.41

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
SCHEMBL3701460 0.97 TTK (0.67) TTKPIK3CBMAPK8PTK2LRRK2
SCHEMBL3142069 0.88 TTK (0.54) TTKPIK3CBMAPK8PTK2LRRK2
SCHEMBL4767742 0.88 TTK (0.82) TTKPIK3CBMAPK8PTK2
SCHEMBL2956265 0.84 TTK (0.71) TTKPIK3CBMAPK8PTK2
SCHEMBL3140259 0.83 TTK (0.61) TTKPIK3CBMAPK8PTK2EGFR
SCHEMBL4766889 0.83 TTK (0.50) TTKPIK3CBMAPK8PTK2IGF1R
SCHEMBL3708914 0.83 TTK (0.56) TTKPIK3CBMAPK8PTK2LRRK2
SCHEMBL3033327 0.83 TTK (0.72) TTKPIK3CBMAPK8PTK2
SCHEMBL4768457 0.82 TTK (0.52) TTKPIK3CBMAPK8PTK2LRRK2
SCHEMBL4766915 0.82 TTK (0.48) TTKPIK3CBMAPK8PTK2LRRK2

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 5 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
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO disclosed
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO 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.