SCHEMBL4148488

SCHEMBL4148488

Nc1nc(Cl)nc2c1ncn2C1CCCO1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.66
CYP2C9 P11712 1/20 0.66
NFKB1 P19838 1/20 0.66
MAPK1 P28482 1/20 0.66
HSD17B10 Q99714 1/20 0.66
MEN1 O00255 1/20 0.66
ALDH1A1 P00352 1/20 0.66
APEX1 P27695 1/20 0.66
PI4KA P42356 1/20 0.66
BLM P54132 1/20 0.66
KMT2A Q03164 1/20 0.66
ADCY1 Q08828 1/20 0.66
PI4K2B Q8TCG2 1/20 0.66
PI4K2A Q9BTU6 1/20 0.66
PI4KB Q9UBF8 1/20 0.66
YTHDC1 Q96MU7 1/20 0.63
PDE4D Q08499 2/20 0.55
PDE3A Q14432 2/20 0.55
PNP P00491 1/20 0.55
LMNA P02545 1/20 0.55

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
SCHEMBL243515 0.96 YTHDC1 (0.69) TP53CYP2C9NFKB1MAPK1HSD17B10
SCHEMBL20275396 0.96 YTHDC1 (0.69) TP53CYP2C9NFKB1MAPK1HSD17B10
SCHEMBL29354479 0.96 YTHDC1 (0.69) TP53CYP2C9NFKB1MAPK1HSD17B10
SCHEMBL2489808 0.92 YTHDC1 (0.64) TP53CYP2C9NFKB1MAPK1HSD17B10
SCHEMBL4151824 0.86 YTHDC1 (0.66) TP53CYP2C9NFKB1MAPK1HSD17B10
SCHEMBL4164718 0.84 MEN1 (0.66) TP53CYP2C9NFKB1MAPK1HSD17B10
SCHEMBL29353722 0.83 YTHDC1 (0.72) TP53CYP2C9NFKB1MAPK1HSD17B10
SCHEMBL244963 0.83 YTHDC1 (0.72) TP53CYP2C9NFKB1MAPK1HSD17B10
SCHEMBL20275400 0.83 YTHDC1 (0.72) TP53CYP2C9NFKB1MAPK1HSD17B10
SCHEMBL17262848 0.83 PI4KA (0.64) TP53CYP2C9NFKB1MAPK1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118220-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-05-07 US disclosed
US-20090118220-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-05-07 US disclosed
US-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-02-19 US disclosed
US-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-02-19 US disclosed
US-20090048203-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-02-19 US disclosed
WO-2007113538-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2007-10-11 WO disclosed
EP-1805196-A1 SUBSTITUTED ADENINES AND THE USE THEREOF AstraZeneca AB (SE) 2007-07-11 EP disclosed
WO-2006040558-A1 SUBSTITUTED ADENINES AND THE USE THEREOF ASTRAZENECA AB (SE) 2006-04-20 WO 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 (2 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 TP53 3813/4885CYP2C9 514/4885NFKB1 1696/4885
US-20090118220-A1 SUBSTITUTED ADENINES AND THE USES THEREOF HPRT1, APRT, NUDT1 TP53 3540/4885CYP2C9 513/4885NFKB1 1669/4885

“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.