SCHEMBL1685246

SCHEMBL1685246

Nc1nc(O)c2ncn(COCCOC(=O)C3(N)CC3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HBB P68871 2/20 0.43
MAPK1 P28482 1/20 0.43
PNP P00491 7/20 0.42
TSHR P16473 2/20 0.42
USP2 O75604 1/20 0.42
EDNRA P25101 1/20 0.42
HTR2A P28223 1/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HPRT1 P00492 4/20 0.39
ENPP1 P22413 2/20 0.39
POLG P54098 1/20 0.38
NT5E P21589 1/20 0.36
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL12629791 0.90 MEN1 (0.46) MEN1KMT2AHBBMAPK1PNP
SCHEMBL630850 0.82 PNP (0.67) MEN1KMT2AHBBMAPK1PNP
Valacyclovir SCHEMBL13604679 0.80 MEN1 (0.68) MEN1KMT2AHBBMAPK1PNP
SCHEMBL15912304 0.80 MEN1 (0.46) MEN1KMT2AHBBMAPK1PNP
Acyclovir SCHEMBL9828560 0.79 PNP (0.61) MEN1KMT2AHBBMAPK1PNP
Trifluoroacetic Acid SCHEMBL631061 0.77 PNP (0.59) MEN1KMT2AHBBMAPK1PNP
SCHEMBL13604678 0.75 MEN1 (0.50) MEN1KMT2AHBBMAPK1PNP
SCHEMBL11249941 0.74 MEN1 (0.57) MEN1KMT2AHBBMAPK1PNP
SCHEMBL9366819 0.73 MEN1 (0.56) MEN1KMT2AHBBMAPK1PNP
SCHEMBL11249255 0.70 EGFR (0.46) MEN1KMT2AHBBMAPK1PNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011513433-A 2011-04-28 JP claimed
EP-2257294-A2 TREATMENT OF HERPES VIRUS RELATED DISEASES Exley, Ray W. (US) 2010-12-08 EP claimed
WO-2009111739-A2 TREATMENT OF HERPES VIRUS RELATED DISEASES EXLEY RAY W (US) 2009-09-11 WO claimed
US-20110112117-A1 TREATMENT OF HERPES VIRUS RELATED DISEASES EXLEY RAY W 2011-05-12 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-20110112117-A1 TREATMENT OF HERPES VIRUS RELATED DISEASES TPMT, METAP2, DNPEP MEN1 1674/4885KMT2A 1208/4885HBB 4014/4885

“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.