SCHEMBL19961899

SCHEMBL19961899

CCOC(=O)C(OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](F)[C@@H]1O)C(C)=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 8/20 0.60
▸ CD99 P14209 1/20 0.58
▸ HSP90B1 P14625 1/20 0.56
▸ MARS1 P56192 1/20 0.53
▸ ADORA1 P30542 2/20 0.51
▸ P2RY1 P47900 2/20 0.51
▸ DNPH1 O43598 1/20 0.51
▸ PRKAB2 O43741 1/20 0.51
▸ TRPM2 O94759 1/20 0.51
▸ LDHA P00338 1/20 0.51
▸ ADRB2 P07550 1/20 0.51
▸ FBP1 P09467 1/20 0.51
▸ SRC P12931 1/20 0.51
▸ P2RY2 P41231 1/20 0.51
▸ PRKAG1 P54619 1/20 0.51
▸ PRKAA2 P54646 1/20 0.51
▸ PDE4D Q08499 1/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ PRKAA1 Q13131 1/20 0.51
▸ PDE3A Q14432 1/20 0.51

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
SCHEMBL19959560 0.96 NT5E (0.62) NT5ECD99HSP90B1MARS1ADORA1
SCHEMBL19961919 0.88 NT5E (0.78) NT5ECD99ADORA1PDE4DPDE3A
SCHEMBL24026262 0.87 NT5E (0.75) NT5ECD99ADORA1P2RY1DNPH1
SCHEMBL19949177 0.87 NT5E (0.75) NT5ECD99ADORA1P2RY1DNPH1
SCHEMBL30262594 0.87 NT5E (0.75) NT5ECD99ADORA1P2RY1DNPH1
SCHEMBL19949155 0.83 NT5E (0.81) NT5ECD99ADORA1PDE4DPDE3A
SCHEMBL24026250 0.81 NT5E (0.86) NT5ECD99ADORA1PDE4DPDE3A
SCHEMBL8970144 0.81 NT5E (0.63) NT5EMARS1ADORA1P2RY1DNPH1
SCHEMBL8970134 0.81 NT5E (0.63) NT5EMARS1ADORA1P2RY1DNPH1
SCHEMBL381959 0.81 NT5E (0.69) NT5EADORA1P2RY1DNPH1PRKAB2

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-20180072742-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2018-03-15 — — 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-20180072742-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 NT5E 1/4885CD99 2641/4885HSP90B1 1678/4885

“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.

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