SCHEMBL2182686

SCHEMBL2182686

Cn1c(=O)c2nc(CNCCN3CCOCC3)nnc2n(C)c1=O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
ALDH1A1 P00352 6/20 0.46
RXFP1 Q9HBX9 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
TSHR P16473 1/20 0.41
TP53 P04637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 4/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2180739 0.94 POLB (0.53) POLBALDH1A1RXFP1L3MBTL1KMT2A
SCHEMBL2182443 0.88 LMNA (0.43) POLBALDH1A1KMT2AMEN1TSHR
SCHEMBL2181923 0.83 HSD17B10 (0.45) POLBALDH1A1KMT2AMEN1TSHR
SCHEMBL2182767 0.83 POLB (0.43) POLBALDH1A1KMT2AMEN1TSHR
SCHEMBL2182586 0.81 POLB (0.51) POLBALDH1A1RXFP1L3MBTL1KMT2A
SCHEMBL2182836 0.81 POLB (0.43) POLBALDH1A1RXFP1L3MBTL1KMT2A
SCHEMBL2184325 0.80 NCOA1 (0.44) ALDH1A1TSHRTP53MAPK1HTT
SCHEMBL2183844 0.80 RXFP1 (0.47) POLBALDH1A1RXFP1L3MBTL1KMT2A
SCHEMBL2179191 0.79 ALDH1A1 (0.38) POLBALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL2182462 0.79 ALDH1A1 (0.38) POLBALDH1A1KMT2AMEN1TSHR

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-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 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-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR POLB 312/4885ALDH1A1 245/4885RXFP1 4290/4885

“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.