SCHEMBL15722804

SCHEMBL15722804

Cn1c(=O)c2c(ncn2Cc2ccc3ccccc3c2)n(C)c1=O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.73
ADORA2B P29275 5/20 0.73
RXFP1 Q9HBX9 2/20 0.73
HTT P42858 3/20 0.69
LMNA P02545 3/20 0.69
UBE2N P61088 2/20 0.69
TP53 P04637 1/20 0.68
MAPK1 P28482 1/20 0.67
GLA P06280 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
ABCC8 Q09428 1/20 0.65
KCNJ11 Q14654 1/20 0.65
ALDH1A1 P00352 2/20 0.63
HIF1A Q16665 2/20 0.63
TSHR P16473 1/20 0.58
CASP1 P29466 1/20 0.58
POLB P06746 1/20 0.56
PDE1A P54750 1/20 0.54
PDE1B Q01064 1/20 0.54
PDE1C Q14123 1/20 0.54

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
SCHEMBL17750785 0.86 LMNA (0.89) SMN1; SMN2ADORA2BRXFP1HTTLMNA
SCHEMBL1944405 0.84 ADORA2B (1.00) SMN1; SMN2ADORA2BRXFP1HTTLMNA
SCHEMBL7118850 0.81 BACE1 (0.49) SMN1; SMN2ADORA2BRXFP1HTTLMNA
SCHEMBL20561174 0.81 LMNA (1.00) SMN1; SMN2ADORA2BRXFP1HTTLMNA
SCHEMBL20561098 0.81 LMNA (0.80) SMN1; SMN2ADORA2BRXFP1HTTLMNA
SCHEMBL17772702 0.81 SMN1; SMN2 (0.74) SMN1; SMN2ADORA2BRXFP1HTTLMNA
SCHEMBL20561381 0.80 LMNA (0.79) SMN1; SMN2ADORA2BRXFP1HTTLMNA
SCHEMBL12604441 0.80 RXFP1 (0.74) SMN1; SMN2ADORA2BRXFP1HTTLMNA
SCHEMBL20561099 0.80 LMNA (0.78) SMN1; SMN2ADORA2BRXFP1HTTLMNA
SCHEMBL20561815 0.79 ADORA2B (0.71) SMN1; SMN2ADORA2BRXFP1HTTLMNA

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-9278951-B2 Azolium and purinium salt anticancer and antimicrobial agents THE UNIVERSITY OF AKRON (US) 2016-03-08 US disclosed
US-9278951-B2 Azolium and purinium salt anticancer and antimicrobial agents THE UNIVERSITY OF AKRON (US) 2016-03-08 US disclosed
US-20140142307-A1 AZOLIUM AND PURINIUM SALT ANTICANCER AND ANTIMICROBIAL AGENTS THE UNIVERSITY OF AKRON 2014-05-22 US disclosed
US-20140142307-A1 AZOLIUM AND PURINIUM SALT ANTICANCER AND ANTIMICROBIAL AGENTS THE UNIVERSITY OF AKRON 2014-05-22 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-20140142307-A1 AZOLIUM AND PURINIUM SALT ANTICANCER AND ANTIMICROBIAL AGENTS PCNA, ITPA, MPI SMN1; SMN2 3715/4885ADORA2B 3090/4885RXFP1 3987/4885

“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.