SCHEMBL4160927

SCHEMBL4160927

CCC(C)C(=O)c1nc(N)c2ncn(C3CCCO3)c2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.52
HSD17B10 Q99714 2/20 0.52
ALDH1A1 P00352 2/20 0.52
BLM P54132 2/20 0.52
KMT2A Q03164 2/20 0.52
TP53 P04637 2/20 0.52
CYP2C9 P11712 1/20 0.52
NFKB1 P19838 1/20 0.52
MEN1 O00255 1/20 0.52
APEX1 P27695 1/20 0.52
PI4KA P42356 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
FLT3 P36888 1/20 0.40
ADORA2A P29274 3/20 0.37
ADORA2B P29275 1/20 0.37

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
SCHEMBL4152449 0.82 TP53 (0.52) MAPK1HSD17B10ALDH1A1BLMKMT2A
SCHEMBL4147769 0.81 MEN1 (0.58) MAPK1HSD17B10ALDH1A1BLMKMT2A
SCHEMBL12856955 0.80 TP53 (0.56) MAPK1HSD17B10ALDH1A1BLMKMT2A
SCHEMBL21029537 0.76 MEN1 (0.60) MAPK1HSD17B10ALDH1A1BLMKMT2A
SCHEMBL4164718 0.76 MEN1 (0.66) MAPK1HSD17B10ALDH1A1BLMKMT2A
SCHEMBL11454503 0.75 ADORA2A (0.57) MAPK1HSD17B10ALDH1A1BLMKMT2A
SCHEMBL565983 0.75 ADORA2A (0.57) MAPK1HSD17B10ALDH1A1BLMKMT2A
SCHEMBL2198603 0.74 TP53 (0.49) MAPK1HSD17B10ALDH1A1BLMKMT2A
SCHEMBL13268875 0.74 TP53 (0.52) MAPK1HSD17B10ALDH1A1BLMKMT2A
SCHEMBL13268867 0.74 TP53 (0.52) MAPK1HSD17B10ALDH1A1BLMKMT2A

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 MAPK1 3367/4885HSD17B10 1880/4885ALDH1A1 355/4885

“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.