SCHEMBL4768457

SCHEMBL4768457

COc1cc(C2CCN(S(C)(=O)=O)CC2)ccc1Nc1nc(NC2CCOCC2)c2nc[nH]c2n1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TTK P33981 12/20 0.52
EGFR P00533 6/20 0.45
LRRK2 Q5S007 1/20 0.45
PIK3CB P42338 1/20 0.45
MAPK8 P45983 1/20 0.45
PTK2 Q05397 1/20 0.45
SYK P43405 1/20 0.43

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
SCHEMBL3140259 0.92 TTK (0.61) TTKEGFRPIK3CBMAPK8PTK2
SCHEMBL3142069 0.89 TTK (0.54) TTKLRRK2PIK3CBMAPK8PTK2
SCHEMBL4767479 0.88 TTK (0.68) TTKPIK3CBMAPK8PTK2
SCHEMBL4766915 0.88 TTK (0.48) TTKLRRK2PIK3CBMAPK8PTK2
SCHEMBL4768258 0.86 TTK (0.63) TTKPIK3CBMAPK8PTK2
SCHEMBL4768565 0.84 TTK (0.57) TTKPIK3CBMAPK8PTK2
SCHEMBL3701460 0.83 TTK (0.67) TTKLRRK2PIK3CBMAPK8PTK2
SCHEMBL3708914 0.83 TTK (0.56) TTKLRRK2PIK3CBMAPK8PTK2
SCHEMBL4768323 0.83 TTK (0.71) TTK
SCHEMBL4768558 0.82 TTK (0.48) TTKLRRK2PIK3CBMAPK8PTK2

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 3 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
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 4589/4885EGFR 565/4885LRRK2 3245/4885

“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.