SCHEMBL4264649

SCHEMBL4264649

C[C@]1(O)[C@@H](CO)O[C@H](n2cnc3c(NC4CCCCCC4)ncnc32)[C@]1(C)F

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.68
ADORA1 P30542 3/20 0.67
ADORA2A P29274 3/20 0.67
ADORA2B P29275 2/20 0.67
TSHR P16473 3/20 0.57
PMP22 Q01453 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
CYP2C19 P33261 1/20 0.57
THPO P40225 1/20 0.57
GAA P10253 1/20 0.55
HTT P42858 1/20 0.55
SIGMAR1 Q99720 1/20 0.55
SLC29A1 Q99808 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TP53 P04637 1/20 0.55
NFKB1 P19838 1/20 0.55
HIF1A Q16665 1/20 0.55

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
SCHEMBL4270959 1.00 ADORA3 (0.68) ADORA3ADORA1ADORA2AADORA2BTSHR
SCHEMBL4260781 1.00 ADORA3 (0.68) ADORA3ADORA1ADORA2AADORA2BTSHR
SCHEMBL4273381 1.00 ADORA3 (0.68) ADORA3ADORA1ADORA2AADORA2BTSHR
SCHEMBL4259448 1.00 ADORA3 (0.68) ADORA3ADORA1ADORA2AADORA2BTSHR
SCHEMBL4261817 1.00 ADORA3 (0.68) ADORA3ADORA1ADORA2AADORA2BTSHR
SCHEMBL4266921 1.00 ADORA3 (0.68) ADORA3ADORA1ADORA2AADORA2BTSHR
SCHEMBL4267363 1.00 ADORA3 (0.68) ADORA3ADORA1ADORA2AADORA2BTSHR
SCHEMBL4267323 1.00 ADORA3 (0.68) ADORA3ADORA1ADORA2AADORA2BTSHR
SCHEMBL4274672 1.00 ADORA3 (0.68) ADORA3ADORA1ADORA2AADORA2BTSHR
SCHEMBL4267232 0.99 ADORA3 (0.68) ADORA3ADORA1ADORA2AADORA2BTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227431-B2 Nucleoside derivatives HETERO DRUGS LIMITED (IN) 2012-07-24 US claimed
WO-2009115893-A2 NOVEL NUCLEOSIDE DERIVATIVES HETERO RESEARCH FOUNDATION (IN) 2009-09-24 WO claimed
US-20090233879-A1 NOVEL NUCLEOSIDE DERIVATIVES HETERO DRUGS LIMITED (IN) 2009-09-17 US claimed
US-8227431-B2 Nucleoside derivatives HETERO DRUGS LIMITED (IN) 2012-07-24 US disclosed
WO-2009115893-A2 NOVEL NUCLEOSIDE DERIVATIVES HETERO RESEARCH FOUNDATION (IN) 2009-09-24 WO disclosed
US-20090233879-A1 NOVEL NUCLEOSIDE DERIVATIVES HETERO DRUGS LIMITED (IN) 2009-09-17 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 (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-20090233879-A1 NOVEL NUCLEOSIDE DERIVATIVES ENTPD5, PNP, ENTPD1 ADORA3 138/4885ADORA1 201/4885ADORA2A 63/4885

“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.