SCHEMBL2180739

SCHEMBL2180739

Cn1c(=O)c2nc(CNCCCN3CCOCC3)nnc2n(C)c1=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
MAPK1 P28482 4/20 0.46
ALDH1A1 P00352 4/20 0.45
RXFP1 Q9HBX9 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 1/20 0.41
USP2 O75604 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 2/20 0.40
MAPT P10636 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
SCHEMBL2182686 0.94 POLB (0.47) POLBMAPK1ALDH1A1RXFP1L3MBTL1
SCHEMBL2182767 0.89 POLB (0.43) POLBMAPK1ALDH1A1KMT2AMEN1
SCHEMBL2182836 0.86 POLB (0.43) POLBMAPK1ALDH1A1RXFP1L3MBTL1
SCHEMBL2179600 0.84 ALDH1A1 (0.44) POLBMAPK1ALDH1A1CYP2C19CYP3A4
SCHEMBL2182443 0.83 LMNA (0.43) POLBALDH1A1KMT2AMEN1HSD17B10
SCHEMBL2182023 0.81 POLB (0.53) POLBMAPK1ALDH1A1ALOX15HSD17B10
SCHEMBL2182462 0.81 ALDH1A1 (0.38) POLBALDH1A1CYP2C19CYP2D6KMT2A
SCHEMBL2182199 0.80 MAPK1 (0.45) MAPK1ALDH1A1CYP2C19CYP3A4CYP2D6
SCHEMBL2181567 0.80 USP2 (0.47) POLBMAPK1ALDH1A1CYP2C19CYP3A4
SCHEMBL2182956 0.80 CYP2C19 (0.40) POLBALDH1A1L3MBTL1CYP2C19CYP2D6

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 312/4885MAPK1 3843/4885ALDH1A1 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.