SCHEMBL2946338

SCHEMBL2946338

Cc1nc(C(=O)N2CCOCC2)ccc1Nc1nc(NC2CCCCC2)c2nc[nH]c2n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TTK P33981 14/20 0.52
LRRK2 Q5S007 3/20 0.49
CNR2 P34972 1/20 0.45
ADORA3 P0DMS8 3/20 0.44
MEN1 O00255 1/20 0.44
AURKA O14965 1/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TYK2 P29597 1/20 0.44
JAK3 P52333 1/20 0.44
KMT2A Q03164 1/20 0.44
AURKB Q96GD4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
AURKC Q9UQB9 1/20 0.44
PIK3CB P42338 1/20 0.43
MAPK8 P45983 1/20 0.43
PTK2 Q05397 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
SCHEMBL4766549 0.86 TTK (0.58) TTKLRRK2
SCHEMBL3041055 0.84 TTK (0.61) TTKADORA3MEN1AURKAJAK2
SCHEMBL4976573 0.82 TTK (0.50) TTKADORA3MEN1AURKAJAK2
SCHEMBL4769063 0.81 ADORA3 (0.45) TTKADORA3
SCHEMBL2945095 0.81 LRRK2 (0.64) TTKLRRK2
SCHEMBL3709184 0.80 TTK (0.56) TTKADORA3MEN1AURKAJAK2
SCHEMBL4769033 0.80 TTK (0.49) TTKADORA3MEN1AURKAJAK2
SCHEMBL3707567 0.79 TTK (0.48) TTKADORA3MEN1AURKAJAK2
SCHEMBL3702644 0.78 TTK (0.47) TTKADORA3MEN1AURKAJAK2
SCHEMBL3711879 0.78 TTK (0.68) 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 5 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

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 4589/4885LRRK2 3245/4885CNR2 1449/4885

“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.