SCHEMBL2180487

SCHEMBL2180487

CN1CCN(CCNc2nnc3c(n2)c(=O)n(C)c(=O)n3C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 4/20 0.41
KAT2B Q92831 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HTT P42858 2/20 0.39
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2C19 P33261 1/20 0.38
TLR9 Q9NR96 1/20 0.38
POLB P06746 1/20 0.38
HTR2A P28223 2/20 0.38
HTR1A P08908 1/20 0.38
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
EGFR P00533 2/20 0.36
FGFR1 P11362 2/20 0.36
FGFR2 P21802 1/20 0.36
FGFR4 P22455 1/20 0.36
FGFR3 P22607 1/20 0.36
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL2179252 0.93 SRC (0.47) SRCHTTGAAHSD17B10L3MBTL1
SCHEMBL2180216 0.90 LMNA (0.44) SRCKAT2BALDH1A1HTTGAA
SCHEMBL2180599 0.88 CA1 (0.42) SRCALDH1A1HTTHSD17B10L3MBTL1
SCHEMBL2182586 0.88 POLB (0.51) ALDH1A1HTTHSD17B10L3MBTL1POLB
SCHEMBL2181800 0.84 SRC (0.36) SRCKAT2BHSD17B10TLR9EGFR
SCHEMBL2181386 0.83 POLB (0.48) SRCALDH1A1GAAPOLBHTR2A
SCHEMBL2184873 0.83 MAPK8 (0.40) SRCKAT2BALDH1A1HTTHSD17B10
SCHEMBL2183251 0.81 POLB (0.47) SRCALDH1A1POLBHTR2AHTR1A
SCHEMBL2180571 0.81 HDAC2 (0.44) ALDH1A1HTTGAAHSD17B10L3MBTL1
SCHEMBL2181498 0.80 CYP2C19 (0.46) ALDH1A1HTTGAAHSD17B10L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 US disclosed
WO-2010014798-A2 PYRIMIDOTRIAZINEDIONES AND PYRIMIDOPYRIMIDINEDIONES AND METHODS OF USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-02-04 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-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR SRC 1995/4885KAT2B 2532/4885ALDH1A1 245/4885

“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.