SCHEMBL4975338

SCHEMBL4975338

Cc1cc(-c2cccnc2)ccc1Nc1nc(NC2CCOCC2)c2nc[nH]c2n1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TTK P33981 11/20 0.44
KCNH2 Q12809 3/20 0.42
ATM Q13315 1/20 0.42
ATR Q13535 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
PRKDC P78527 1/20 0.41
SYK P43405 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
CARM1 Q86X55 1/20 0.38
DYRK1A Q13627 1/20 0.38

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
SCHEMBL4976200 0.91 TTK (0.46) TTKKCNH2ATMATRSYK
SCHEMBL4974114 0.86 TTK (0.46) TTKIRAK4SYKCARM1
SCHEMBL4767281 0.86 TTK (0.43) TTKPRKDC
SCHEMBL4975591 0.80 TTK (0.49) TTK
SCHEMBL4979256 0.79 TTK (0.53) TTK
SCHEMBL4979277 0.79 TTK (0.48) TTK
SCHEMBL4767028 0.78 TTK (0.43) TTKIRAK4
SCHEMBL4975300 0.78 TTK (0.51) TTK
SCHEMBL4766994 0.77 TTK (0.44) TTK
SCHEMBL4974707 0.77 TTK (0.47) TTKSYK

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 1 patent. 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

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 4589/4885KCNH2 4544/4885ATM 2534/4885

“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.