SCHEMBL31452129

SCHEMBL31452129

Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)O[C@H]3[C@@H](O)[C@H](n4cnc5c(=O)[nH]c(N)nc54)O[C@@H]3CO)[C@@H](O)[C@H]2O)c(=O)[nH]1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NT5E P21589 1/20 0.72
TGM2 P21980 1/20 0.71
FUT5 Q11128 1/20 0.66
KRAS P01116 4/20 0.65
RNASEL Q05823 4/20 0.63
IMPDH2 P12268 5/20 0.61
IMPDH1 P20839 1/20 0.61
HINT1 P49773 1/20 0.60
P2RX3 P56373 1/20 0.59
P2RY2 P41231 1/20 0.59
P2RY4 P51582 1/20 0.59
P2RY6 Q15077 1/20 0.59

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
SCHEMBL29822597 0.99 NT5E (0.71) NT5ETGM2FUT5KRASRNASEL
SCHEMBL29486374 0.99 NT5E (0.71) NT5ETGM2FUT5KRASRNASEL
SCHEMBL29486372 0.99 NT5E (0.71) NT5ETGM2FUT5KRASRNASEL
SCHEMBL29353975 0.99 NT5E (0.71) NT5ETGM2FUT5KRASRNASEL
SCHEMBL18320601 0.95 NT5E (0.72) NT5ETGM2FUT5KRASRNASEL
SCHEMBL16004523 0.95 NT5E (0.67) NT5ETGM2FUT5KRASRNASEL
SCHEMBL20924563 0.95 NT5E (0.67) NT5ETGM2FUT5KRASRNASEL
SCHEMBL21516016 0.95 RNASEL (0.71) TGM2RNASELP2RX3P2RY2
SCHEMBL20924417 0.95 NT5E (0.67) NT5ETGM2FUT5KRASRNASEL
SCHEMBL22646974 0.95 NT5E (0.67) NT5ETGM2FUT5KRASRNASEL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250066423-A1 SESTRIN-MAPK COMPLEX INHIBITORS SENTCELL LTD (GB) 2025-02-27 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-20250066423-A1 SESTRIN-MAPK COMPLEX INHIBITORS MAPK1, MAPKAP1, MAPK3 NT5E 4662/4885TGM2 2975/4885FUT5 4443/4885

“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.