SCHEMBL12786366

SCHEMBL12786366

CNc1nc2c(ncn2COCCO)c(=O)[nH]1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 7/20 0.70
TSHR P16473 2/20 0.70
HBB P68871 2/20 0.70
BLM P54132 2/20 0.70
USP2 O75604 1/20 0.70
EDNRA P25101 1/20 0.70
HTR2A P28223 1/20 0.70
RECQL P46063 1/20 0.70
HSD17B10 Q99714 1/20 0.70
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
HPRT1 P00492 4/20 0.57
MAPK1 P28482 1/20 0.51
POLG P54098 1/20 0.50
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
CYP3A4 P08684 1/20 0.49
NFKB1 P19838 1/20 0.49
VCP P55072 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL16082172 0.89 PNP (0.72) PNPTSHRHBBBLMUSP2
SCHEMBL8444939 0.87 MEN1 (0.80) PNPTSHRHBBBLMUSP2
SCHEMBL750989 0.86 MEN1 (0.63) PNPTSHRHBBBLMUSP2
SCHEMBL12786344 0.85 PNP (0.77) PNPTSHRHBBBLMUSP2
SCHEMBL22875772 0.85 MEN1 (0.64) PNPTSHRHBBBLMUSP2
SCHEMBL7688901 0.83 TK1 (0.70) PNPTSHRHBBBLMUSP2
SCHEMBL10649363 0.83 PNP (0.64) PNPTSHRHBBBLMUSP2
Acyclovir SCHEMBL16061503 0.83 PNP (0.95) PNPTSHRHBBBLMUSP2
Acyclovir SCHEMBL3175 0.83 PNP (1.00) PNPTSHRHBBBLMUSP2
Acyclovir SCHEMBL3664893 0.83 PNP (1.00) PNPTSHRHBBBLMUSP2

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-20110059921-A1 Oligomer-Nitrogenous Base Conjugates Ektar Therapeutics (US) 2011-03-10 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-20110059921-A1 Oligomer-Nitrogenous Base Conjugates NCL, NMBR, SLC43A3 PNP 1022/4885TSHR 2290/4885HBB 1329/4885

“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.