SCHEMBL4149709

SCHEMBL4149709

CCCCS(=O)(=O)c1nc(N)c2ncn(C3CCCO3)c2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 2/20 0.52
TP53 P04637 1/20 0.52
CYP2C9 P11712 1/20 0.52
NFKB1 P19838 1/20 0.52
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52
APEX1 P27695 1/20 0.52
PI4KA P42356 1/20 0.52
BLM P54132 1/20 0.52
ADCY1 Q08828 1/20 0.52
PI4K2B Q8TCG2 1/20 0.52
PI4K2A Q9BTU6 1/20 0.52
PI4KB Q9UBF8 1/20 0.52
CYP2C19 P33261 1/20 0.42
YTHDC1 Q96MU7 1/20 0.41
ADORA2A P29274 4/20 0.41
ADORA1 P30542 2/20 0.40
ADORA3 P0DMS8 2/20 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
SCHEMBL12857027 0.81 NFKB1 (0.55) MEN1ALDH1A1KMT2ATP53CYP2C9
SCHEMBL21029537 0.79 MEN1 (0.60) MEN1ALDH1A1KMT2ATP53CYP2C9
SCHEMBL4145031 0.78 TP53 (0.55) MEN1ALDH1A1KMT2ATP53CYP2C9
SCHEMBL4152449 0.78 TP53 (0.52) MEN1ALDH1A1KMT2ATP53CYP2C9
SCHEMBL567355 0.76 ADORA2A (0.55) MEN1ALDH1A1KMT2ATP53CYP2C9
SCHEMBL29809280 0.76 ADORA2A (0.55) MEN1ALDH1A1KMT2ATP53CYP2C9
SCHEMBL3125120 0.75 TP53 (0.50) MEN1ALDH1A1KMT2ATP53CYP2C9
SCHEMBL12157544 0.74 TP53 (0.49) MEN1ALDH1A1KMT2ATP53CYP2C9
SCHEMBL4164718 0.73 MEN1 (0.66) MEN1ALDH1A1KMT2ATP53CYP2C9
SCHEMBL4148488 0.73 TP53 (0.66) MEN1ALDH1A1KMT2ATP53CYP2C9

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-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-02-19 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-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF HPRT1, APRT, NUDT1 MEN1 2161/4885ALDH1A1 355/4885KMT2A 1961/4885

“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.