SCHEMBL2470033

SCHEMBL2470033

[N-]=[N+]=Nn1c(N)nc2nc[nH]c2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 2/20 0.42
DPP4 P27487 1/20 0.40
PDPK1 O15530 1/20 0.38
GDA Q9Y2T3 1/20 0.38
CDK2 P24941 3/20 0.36
ALDH1A1 P00352 1/20 0.36
MAP3K5 Q99683 1/20 0.34
MGMT P16455 2/20 0.33
CDK1 P06493 2/20 0.33
CCNB1 P14635 2/20 0.33
CCNA2 P20248 2/20 0.33
CCNA1 P78396 2/20 0.33
HRH4 Q9H3N8 1/20 0.33
LMNA P02545 2/20 0.33
PI4KA P42356 2/20 0.33
PI4K2B Q8TCG2 2/20 0.33
PI4K2A Q9BTU6 2/20 0.33
PI4KB Q9UBF8 2/20 0.33
ATAD2 Q6PL18 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL1302001 0.85 PNP (0.46) PNPDPP4PDPK1GDACDK2
SCHEMBL2470029 0.77
SCHEMBL41788 0.73 PNP (0.50) PNPDPP4PDPK1GDACDK2
SCHEMBL20579 0.72 DPP4 (0.50) PNPDPP4PDPK1GDACDK2
SCHEMBL2983851 0.72 PNP (0.49) PNPDPP4PDPK1GDACDK2
SCHEMBL2051365 0.72 PNP (0.49) PNPDPP4PDPK1GDACDK2
SCHEMBL20867 0.72 ATAD2 (0.53) PNPDPP4PDPK1GDAHRH4
SCHEMBL1843777 0.72 PNP (0.49) PNPDPP4PDPK1GDACDK2
SCHEMBL8886040 0.72 PNP (0.49) PNPDPP4PDPK1GDACDK2
SCHEMBL27975255 0.72 PNP (0.49) PNPDPP4PDPK1GDACDK2

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-20110229415-A1 SEMI-SYNTHETIC ANTIBODIES AS RECOGNITION ELEMENTS UNIVERSITY OF KENTUCKY 2011-09-22 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-20110229415-A1 SEMI-SYNTHETIC ANTIBODIES AS RECOGNITION ELEMENTS SSB, PNP, ADAR PNP 2/4885DPP4 2948/4885PDPK1 2961/4885

“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.