SCHEMBL4769252

SCHEMBL4769252

COc1ccc(Nc2nc(N(C)C3CCCCC3)c3nc[nH]c3n2)c(OC)n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TTK P33981 6/20 0.37
JAK3 P52333 8/20 0.36
JAK1 P23458 5/20 0.36
JAK2 O60674 2/20 0.36
CDK1 P06493 2/20 0.34
LCK P06239 2/20 0.34
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CCNB2 O95067 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
LRRK2 Q5S007 1/20 0.33
CLK2 P49760 1/20 0.33

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
SCHEMBL4766587 0.83 MAPT (0.45) TTKALDH1A1L3MBTL1
SCHEMBL4769217 0.77 TTK (0.36) TTKALDH1A1LRRK2CLK2
SCHEMBL13177946 0.74 TTK (0.35) TTK
SCHEMBL4769111 0.74 TTK (0.41) TTKLRRK2
SCHEMBL3705981 0.72 JAK3 (0.40) TTKJAK3JAK1JAK2LCK
SCHEMBL3714124 0.72 TTK (0.58) TTK
SCHEMBL3700002 0.71 TTK (0.61) TTK
SCHEMBL4769150 0.71 ADORA3 (0.46) JAK1JAK2
SCHEMBL13705502 0.70 ADORA3 (0.53) TTKJAK3JAK1JAK2CDK1
SCHEMBL17262737 0.67 HDAC1 (0.44) JAK3JAK2LCK

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 4589/4885JAK3 583/4885JAK1 1150/4885

“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.