SCHEMBL3708140

SCHEMBL3708140

COc1cc(C2=CCN(C(=O)C3(C)CC3)CC2)ccc1Nc1nc(NC2CCCCC2)c2nc[nH]c2n1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TTK P33981 16/20 0.46
CLK1 P49759 1/20 0.42
CLK2 P49760 1/20 0.42
LRRK2 Q5S007 1/20 0.41
EGFR P00533 2/20 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
SCHEMBL3707025 0.84 TTK (0.55) TTK
SCHEMBL3708136 0.82 TTK (0.43) TTKCLK1CLK2
SCHEMBL3260718 0.81 TTK (0.50) TTK
SCHEMBL3694873 0.79 TTK (0.50) TTKCLK1CLK2
SCHEMBL2945095 0.77 LRRK2 (0.64) TTKLRRK2
SCHEMBL2946362 0.76 TTK (0.46) TTKCLK1CLK2
SCHEMBL3711102 0.76 TTK (0.51) TTKCLK1CLK2
SCHEMBL3699681 0.75 TTK (0.50) TTKCLK1CLK2
SCHEMBL3031287 0.75 TTK (0.57) TTKLRRK2
SCHEMBL2956312 0.75 TTK (0.65) TTK

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 4 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

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 4589/4885CLK1 3989/4885CLK2 2733/4885

“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.