SCHEMBL97303

SCHEMBL97303

CP(=O)(O)CO[C@H](CO)Cn1cnc2c(N)nc(N)nc21

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 8/20 0.51
CCNE1 P24864 3/20 0.48
CDK2 P24941 3/20 0.48
CDK1 P06493 2/20 0.48
CCNB1 P14635 2/20 0.48
CYP3A4 P08684 5/20 0.47
FGFR1 P11362 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
NFKB1 P19838 1/20 0.41
BLM P54132 1/20 0.41
VCP P55072 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HIF1A Q16665 1/20 0.41
CYP2D6 P10635 3/20 0.39

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
SCHEMBL172847 0.91 HPRT1 (0.55) HPRT1CCNE1CDK2CDK1CCNB1
SCHEMBL15516660 0.91 HPRT1 (0.55) HPRT1CCNE1CDK2CDK1CCNB1
SCHEMBL29450587 0.91 HPRT1 (0.55) HPRT1CCNE1CDK2CDK1CCNB1
SCHEMBL97265 0.87 CYP3A4 (0.62) CCNE1CDK2CDK1CCNB1CYP3A4
SCHEMBL10047654 0.86 CYP3A4 (0.64) CYP3A4FGFR1SLC22A6ALDH1A1CYP2D6
SCHEMBL14669190 0.84 CYP3A4 (0.53) HPRT1CCNE1CDK2CDK1CCNB1
SCHEMBL14669210 0.84 CYP3A4 (0.53) HPRT1CCNE1CDK2CDK1CCNB1
SCHEMBL14669198 0.84 CYP3A4 (0.53) HPRT1CCNE1CDK2CDK1CCNB1
SCHEMBL14669074 0.82 CDK1 (0.45) HPRT1CCNE1CDK2CDK1CCNB1
SCHEMBL97316 0.82 HPRT1 (0.75) HPRT1CYP3A4MEN1ALDH1A1LMNA

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-20120058975-A1 Phosphonate Compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2012-03-08 US disclosed
US-8008308-B2 Phosphonate compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-08-30 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-20120058975-A1 Phosphonate Compounds PHPT1, PHOSPHO1, PIK3CA HPRT1 130/4885CCNE1 943/4885CDK2 335/4885

“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.