SCHEMBL4136423

SCHEMBL4136423

COCCNc1nc(N)c2ncn(C3CCCCO3)c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
TP53 P04637 1/20 0.49
CYP2C9 P11712 1/20 0.49
NFKB1 P19838 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MEN1 O00255 1/20 0.49
APEX1 P27695 1/20 0.49
PI4KA P42356 1/20 0.49
BLM P54132 1/20 0.49
KMT2A Q03164 1/20 0.49
ADCY1 Q08828 1/20 0.49
PI4K2B Q8TCG2 1/20 0.49
PI4K2A Q9BTU6 1/20 0.49
PI4KB Q9UBF8 1/20 0.49
YTHDC1 Q96MU7 1/20 0.48
FLT3 P36888 2/20 0.47
ADORA2A P29274 1/20 0.46
ADORA2B P29275 1/20 0.46
CYP2C19 P33261 1/20 0.44

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
SCHEMBL3125120 0.87 TP53 (0.50) ALDH1A1TP53CYP2C9NFKB1MAPK1
SCHEMBL12157544 0.86 TP53 (0.49) ALDH1A1TP53CYP2C9NFKB1MAPK1
SCHEMBL12157667 0.86 ADORA2A (0.58) ALDH1A1TP53CYP2C9NFKB1MAPK1
SCHEMBL2198652 0.82 TP53 (0.52) ALDH1A1TP53CYP2C9NFKB1MAPK1
SCHEMBL13477905 0.81 TP53 (0.57) ALDH1A1TP53CYP2C9NFKB1MAPK1
SCHEMBL4136783 0.80 ALDH1A1 (0.42) ALDH1A1MEN1BLMKMT2AFLT3
SCHEMBL4136764 0.80 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AFLT3ADORA2A
SCHEMBL17929775 0.80 YTHDC1 (0.70) YTHDC1FLT3ADORA2ACYP2C19NPC1
SCHEMBL11458579 0.79 TP53 (0.57) ALDH1A1TP53CYP2C9NFKB1MAPK1
SCHEMBL29353173 0.79 TP53 (0.57) ALDH1A1TP53CYP2C9NFKB1MAPK1

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
US-20090118263-A1 Novel Adenine Compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-05-07 US disclosed
US-20090118263-A1 Novel Adenine Compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-05-07 US disclosed
US-20090118263-A1 Novel Adenine Compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-05-07 US disclosed
EP-1939202-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-02 EP 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-20090118263-A1 Novel Adenine Compound ADORA1, ADORA2A, ADORA3 ALDH1A1 115/4885TP53 4115/4885CYP2C9 887/4885

“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.