SCHEMBL4301037

SCHEMBL4301037

Nc1nc2ncccc2c2c1ncn2N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.41
TLR7 Q9NYK1 2/20 0.38
NUDT1 P36639 2/20 0.38
ADORA2A P29274 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HRH2 P25021 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR2A P28223 1/20 0.38
ADRA1A P35348 1/20 0.38
HTR2B P41595 1/20 0.38
PDE4D Q08499 1/20 0.38
KCNH2 Q12809 1/20 0.38
ACHE P22303 2/20 0.37
IDO1 P14902 3/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
PSMB5 P28074 1/20 0.36
ADORA3 P0DMS8 3/20 0.34
ALDH1A1 P00352 2/20 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
SCHEMBL4753594 0.78 TLR7 (0.59) TLR7NUDT1ADORA2ALMNAPOLB
SCHEMBL2059214 0.76 TLR7 (0.69) DHFRTLR7NUDT1ADORA2ALMNA
SCHEMBL4299811 0.76 TLR7 (0.42) DHFRTLR7NUDT1ADORA2ALMNA
Water SCHEMBL3351893 0.76 TLR7 (0.67) DHFRTLR7NUDT1ADORA2ALMNA
SCHEMBL1007376 0.74 DHFR (0.53) DHFRNUDT1ADORA2ALMNAACHE
SCHEMBL10123108 0.73 TLR7 (0.40) DHFRTLR7LMNAACHEIDO1
SCHEMBL4296337 0.71 TLR7 (0.40) TLR7NUDT1ADORA2ALMNAPOLB
SCHEMBL1008832 0.69 DHFR (0.46) DHFRNUDT1LMNAACHEIDO1
SCHEMBL10148225 0.68 TLR7 (0.55) TLR7
SCHEMBL3231917 0.67 TLR7 (0.49) TLR7NUDT1ADORA2ALMNAPOLB

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-20090270443-A1 1-AMINO IMIDAZO-CONTAINING COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. 2009-10-29 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-20090270443-A1 1-AMINO IMIDAZO-CONTAINING COMPOUNDS AND METHODS IL2, IL4I1, IFNG DHFR 157/4885TLR7 188/4885NUDT1 690/4885

“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.