SCHEMBL4064444

SCHEMBL4064444

C=CCn1cc(Br)c2ncnc(OC)c21

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.33
ADORA2B P29275 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA1 P30542 1/20 0.33
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 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
SCHEMBL3016797 0.78 ADORA3 (0.35) ADORA2AADORA2BADORA3ADORA1CSNK2A2
SCHEMBL4065388 0.74 DGAT1 (0.38)
SCHEMBL15740098 0.68 MAPT (0.35)
SCHEMBL12027350 0.67 FLT4 (0.33)
SCHEMBL12539835 0.66 MEN1 (0.37) ADORA2AADORA1
SCHEMBL23214023 0.64 CYP1A2 (0.36) ADORA2AADORA2B
SCHEMBL13713523 0.64 SMN1; SMN2 (0.34)
SCHEMBL30053712 0.62 FAAH (0.38)
SCHEMBL23834461 0.62 FAAH (0.38)
SCHEMBL13713297 0.62 HPGD (0.36) ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2077268-A1 Process for preparing inhibitors of nucleoside metabolism Industrial Research Limited (NZ) 2009-07-08 EP disclosed
EP-1165564-B1 PROCESS FOR PREPARING INHIBITORS OF NUCLEOSIDE METABOLISM IND RES LTD (NZ) 2009-03-11 EP disclosed
US-7405297-B2 Process for preparing inhibitors of nucleoside metabolism INDUSTRIAL RESEARCH LIMITED (NZ) 2008-07-29 US disclosed
US-20070161667-A1 Process for preparing inhibitors of nucleoside metabolism BIOCRYST PHARMACEUTICALS, INC. 2007-07-12 US disclosed
US-7211677-B2 Process for preparing inhibitors of nucleoside metabolism INDUSTRIAL RESEARCH LIMITED (NZ) 2007-05-01 US disclosed
US-20060089498-A1 Process for preparing inhibitors of nucleoside metabolism BIOCRYST PHARMACEUTICALS, INC. 2006-04-27 US disclosed
US-7022852-B2 Process for preparing inhibitors of nucleoside metabolism INDUSTRIAL RESEARCH LIMITED (NZ) 2006-04-04 US disclosed
US-20040181063-A1 Process for preparing inhibitors of nucleoside metabolism BIOCRYST PHARMACEUTICALS, INC. 2004-09-16 US disclosed
US-6693193-B1 COUPLING AN N- AND O-PROTECTED 2,3-DIHYDROXY-PYRROLIDINE TO THE 2-POSITION AND DEPROTECTING INDUSTRIAL RESEARCH LIMITED (NZ) 2004-02-17 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 (3 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-20060089498-A1 Process for preparing inhibitors of nucleoside metabolism UGT1A3, AGL, PNP ADORA2A 1161/4885ADORA2B 803/4885ADORA3 219/4885
US-20040181063-A1 Process for preparing inhibitors of nucleoside metabolism XDH, PNP, AGL ADORA2A 853/4885ADORA2B 820/4885ADORA3 445/4885
US-20070161667-A1 Process for preparing inhibitors of nucleoside metabolism PNP, UGT1A3, AGL ADORA2A 1059/4885ADORA2B 704/4885ADORA3 194/4885

“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.