SCHEMBL10117907

SCHEMBL10117907

Cc1nc(N)nc(-c2ccccc2)c1Br

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 14/20 0.50
NUDT1 P36639 2/20 0.50
ADORA1 P30542 14/20 0.49
XDH P47989 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ADORA2B P29275 2/20 0.46
POLB P06746 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CSNK1A1 P48729 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43

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
SCHEMBL10567530 0.78 ADORA2A (0.53) ADORA2ANUDT1ADORA1XDHALDH1A1
SCHEMBL29541280 0.78 ADORA2A (0.53) ADORA2ANUDT1ADORA1XDHALDH1A1
Bropirimine SCHEMBL4321472 0.78 ADORA2A (0.50) ADORA2ANUDT1ADORA1XDHADORA2B
SCHEMBL6817514 0.78 ADORA2A (0.50) ADORA2ANUDT1ADORA1ALDH1A1CYP1A2
SCHEMBL822872 0.75 NUDT1 (0.56) NUDT1XDHALDH1A1CYP1A2HPGD
SCHEMBL2755511 0.75 KDM4E (0.40) ADORA2AADORA1XDHALDH1A1HPGD
SCHEMBL21731039 0.75 ADORA2A (0.47) ADORA2ANUDT1ADORA1XDHALDH1A1
SCHEMBL29502741 0.75 ADORA2A (0.47) ADORA2ANUDT1ADORA1XDHALDH1A1
SCHEMBL9289229 0.74 ALDH1A1 (0.55) ADORA2ANUDT1ADORA1ALDH1A1CYP1A2
SCHEMBL24310426 0.74 ADORA2A (0.64) ADORA2ANUDT1ADORA1XDHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211863-B2 Administration of TLR7 ligands and prodrugs thereof for treatment of infection by hepatitis C virus ANADYS PHARMACEUTICALS, INC. (US) 2012-07-03 US disclosed
US-20120028999-A1 ADMINISTRATION OF TLR7 LIGANDS AND PRODRUGS THEREOF FOR TREATMENT OF INFECTION BY HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2012-02-02 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-20120028999-A1 ADMINISTRATION OF TLR7 LIGANDS AND PRODRUGS THEREOF FOR TREATMENT OF INFECTION BY HEPATITIS C VIRUS TLR7, TLR3, TLR9 ADORA2A 166/4885NUDT1 150/4885ADORA1 287/4885

“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.