SCHEMBL4239753

SCHEMBL4239753

Cc1nc(N)c2nc(N)[nH]c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
KMT2A Q03164 1/20 0.34
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
ADORA1 P30542 4/20 0.32
ADORA2A P29274 3/20 0.32
ADORA3 P0DMS8 1/20 0.32
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
PMP22 Q01453 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FABP6 P51161 1/20 0.31
ADORA2B P29275 1/20 0.31
NPY5R Q15761 1/20 0.31

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
SCHEMBL20564 0.83 ADORA3 (0.38) KDM4EALDH1A1GAAMAPTPKM
SCHEMBL12726686 0.79 CSNK2A2 (0.33) KDM4EALDH1A1GAAMAPTPKM
SCHEMBL13522498 0.79 ADORA1 (0.30) ADORA1ADORA2AADORA3
SCHEMBL3916442 0.79 ADORA1 (0.30) ADORA1ADORA2AADORA3
SCHEMBL6423600 0.76 NSD2 (0.40) PNPKDM4EALDH1A1GAAMAPT
SCHEMBL10121590 0.76 ADORA3 (0.32) ADORA1ADORA2AADORA3
SCHEMBL9797613 0.75 NPSR1 (0.33) PNP
SCHEMBL4298064 0.72 KDM4E (0.31) KDM4EALDH1A1LMNA
SCHEMBL16094459 0.70 ADORA1 (0.39) ADORA1ADORA2AADORA3LMNAADORA2B
SCHEMBL10383664 0.70 KMT2A (0.36) KDM4EALDH1A1GAAMAPTPKM

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-20090118220-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2009-05-07 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-20090118220-A1 SUBSTITUTED ADENINES AND THE USES THEREOF HPRT1, APRT, NUDT1 PNP 7/4885KDM4E 2747/4885ALDH1A1 277/4885

“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.