SCHEMBL2948829

SCHEMBL2948829

COc1cc(C2CCNCC2)ccc1Nc1nc(NC2CCCCC2)c2nc[nH]c2n1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TTK P33981 8/20 0.55
ALK Q9UM73 4/20 0.49
EGFR P00533 8/20 0.49
MET P08581 1/20 0.47
PIK3CB P42338 1/20 0.46
MAPK8 P45983 1/20 0.46
PTK2 Q05397 1/20 0.46

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
SCHEMBL3703793 0.91 TTK (0.49) TTKPIK3CBMAPK8PTK2
SCHEMBL4766889 0.87 TTK (0.50) TTKPIK3CBMAPK8PTK2
SCHEMBL3140259 0.86 TTK (0.61) TTKEGFRPIK3CBMAPK8PTK2
SCHEMBL4766150 0.85 TTK (0.54) TTKPIK3CBMAPK8PTK2
SCHEMBL2946280 0.84 TTK (0.77) TTKALKPIK3CBMAPK8PTK2
SCHEMBL3040661 0.84 TTK (0.53) TTKPIK3CBMAPK8PTK2
SCHEMBL3257555 0.84 TTK (0.49) TTKPIK3CBMAPK8PTK2
SCHEMBL4766022 0.84 TTK (0.52) TTKPIK3CBMAPK8PTK2
SCHEMBL3031287 0.84 TTK (0.57) TTKALK
SCHEMBL13177800 0.84 TTK (0.51) TTKPIK3CBMAPK8PTK2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO claimed
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 4589/4885ALK 2060/4885EGFR 565/4885

“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.