SCHEMBL20347249

SCHEMBL20347249

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)C[C@H]1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 8/20 0.36
LMNA P02545 3/20 0.36
TP53 P04637 3/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CD79B P40259 1/20 0.35
HTR2C P28335 3/20 0.35
HTR2B P41595 3/20 0.35
TMIGD3 P0DMS9 2/20 0.35
PDE4D Q08499 2/20 0.34
PDE3A Q14432 2/20 0.34
PNP P00491 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ADORA3 P0DMS8 2/20 0.34
PDE2A O00408 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34

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
SCHEMBL20347248 0.89 NT5E (0.39) NT5ELMNATP53ALDH1A1MAPT
SCHEMBL20347279 0.87 NT5E (0.48) NT5ELMNATP53ALDH1A1MAPT
SCHEMBL20347253 0.86 NT5E (0.40) NT5ELMNATP53ALDH1A1MAPT
SCHEMBL20347252 0.83 TYMP (0.42) NT5E
SCHEMBL22807183 0.82 NT5E (0.40) NT5ELMNATP53ALDH1A1MAPT
SCHEMBL19961932 0.82 LMNA (0.42) NT5ELMNATP53ALDH1A1MAPT
SCHEMBL20347372 0.82 LMNA (0.42) NT5ELMNATP53ALDH1A1MAPT
SCHEMBL20333318 0.82 PDE4D (0.52) NT5ELMNATP53PDE4DPDE3A
SCHEMBL20347282 0.82 NT5E (0.48) NT5ELMNATP53ALDH1A1MAPT
SCHEMBL20347303 0.82 ADORA3 (0.44) NT5ELMNATP53ALDH1A1MAPT

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-20180186827-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2018-07-05 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-20180186827-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 NT5E 1/4885LMNA 2684/4885TP53 2516/4885

“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.