SCHEMBL800310

SCHEMBL800310

CC[C@@H](O)[C@H]1O[C@@H](n2cnc(C(=N)N)c2N)[C@H](O)[C@@H]1O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
FBP1 P09467 1/20 0.42
ATIC P31939 1/20 0.42
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
BLM P54132 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.37
ADORA2A P29274 2/20 0.37
ADORA2B P29275 2/20 0.37
TYMP P19971 1/20 0.36
NT5E P21589 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
EHMT1 Q9H9B1 1/20 0.35

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
SCHEMBL6314596 0.78 FBP1 (0.51) KDM4ETDP1TP53MAPTFBP1
SCHEMBL11807285 0.77 KDM4E (0.77) KDM4ETDP1TP53MAPTFBP1
SCHEMBL18026180 0.76 ADORA3 (0.63) BLMSMN1; SMN2TSHRADORA2AADORA2B
SCHEMBL21413842 0.76 ADORA3 (0.63) BLMSMN1; SMN2TSHRADORA2AADORA2B
SCHEMBL800618 0.76 ADORA3 (0.63) BLMSMN1; SMN2TSHRADORA2AADORA2B
SCHEMBL21837298 0.76 ADORA3 (0.63) BLMSMN1; SMN2TSHRADORA2AADORA2B
SCHEMBL13190653 0.75 KDM4E (0.47) KDM4ETDP1TP53MAPTFBP1
SCHEMBL8913186 0.73 KDM4E (0.57) KDM4ETDP1TP53MAPTFBP1
SCHEMBL18026027 0.73 ADORA2A (0.60) SMN1; SMN2ADORA2AADORA2BPRMT5WDR77
SCHEMBL18026050 0.73 ADORA2A (0.60) SMN1; SMN2ADORA2AADORA2BPRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012040126-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-29 WO disclosed
US-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 US disclosed
US-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS ALIOS BIOPHARMA, INC. (US) 2012-03-22 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-20120070411-A1 SUBSTITUTED NUCLEOTIDE ANALOGS PNP, NTPCR, NUDT1 KDM4E 3204/4885TDP1 403/4885TP53 465/4885

“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.