SCHEMBL19949177

SCHEMBL19949177

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(C(=O)O)C(=O)O)[C@@H](O)[C@H]1F

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 6/20 0.75
▸ CD99 P14209 1/20 0.75
▸ P2RY1 P47900 4/20 0.60
▸ ADORA1 P30542 3/20 0.60
▸ P2RY2 P41231 3/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ SRC P12931 2/20 0.60
▸ DNPH1 O43598 1/20 0.60
▸ PRKAB2 O43741 1/20 0.60
▸ TRPM2 O94759 1/20 0.60
▸ LDHA P00338 1/20 0.60
▸ ADRB2 P07550 1/20 0.60
▸ FBP1 P09467 1/20 0.60
▸ PRKAG1 P54619 1/20 0.60
▸ PRKAA2 P54646 1/20 0.60
▸ PDE4D Q08499 1/20 0.60
▸ KCNH2 Q12809 1/20 0.60
▸ PRKAA1 Q13131 1/20 0.60
▸ PDE3A Q14432 1/20 0.60
▸ TAS1R3 Q7RTX0 1/20 0.60

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
SCHEMBL24026262 1.00 NT5E (0.75) NT5ECD99P2RY1ADORA1P2RY2
SCHEMBL30262594 1.00 NT5E (0.75) NT5ECD99P2RY1ADORA1P2RY2
SCHEMBL17202812 0.92 NT5E (0.72) NT5EP2RY1ADORA1P2RY2SMN1; SMN2
SCHEMBL17202808 0.92 NT5E (0.72) NT5EP2RY1ADORA1P2RY2SMN1; SMN2
SCHEMBL19959560 0.89 NT5E (0.62) NT5ECD99P2RY1ADORA1P2RY2
SCHEMBL19961899 0.87 NT5E (0.60) NT5ECD99P2RY1ADORA1P2RY2
SCHEMBL30262610 0.86 NT5E (1.00) NT5ECD99ADORA1PDE4DPDE3A
SCHEMBL19949159 0.86 NT5E (1.00) NT5ECD99ADORA1PDE4DPDE3A
SCHEMBL14010554 0.85 NT5E (0.65) NT5EADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL21999782 0.84 NT5E (0.69) NT5EP2RY1ADORA1P2RY2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11208414-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2021-12-28 — — US claimed
US-11174261-B2 — — 2021-11-16 — — US claimed
US-20200087310-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2020-03-19 — — US claimed
US-10472364-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2019-11-12 — — US claimed
US-20180072742-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2018-03-15 — — US claimed
US-11208414-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2021-12-28 — — US disclosed
US-11208414-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2021-12-28 — — US disclosed
US-11174261-B2 — — 2021-11-16 — — US disclosed
US-11174261-B2 — — 2021-11-16 — — US disclosed
US-20200087310-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2020-03-19 — — US disclosed
US-10472364-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2019-11-12 — — US disclosed
US-10472364-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2019-11-12 — — US disclosed
EP-3510040-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF Calithera Biosciences, Inc. (US) 2019-07-17 — — EP disclosed
WO-2018049145-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF CALITHERA BIOSCIENCES, INC. (US) 2018-03-15 — — WO disclosed
WO-2018049145-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF CALITHERA BIOSCIENCES, INC. (US) 2018-03-15 — — WO disclosed
US-20180072742-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2018-03-15 — — US disclosed
US-20180072742-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2018-03-15 — — US disclosed
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 (5 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-11174261-B2 — ENTPD5, NT5E, ENTPD1 NT5E 2/4885CD99 1279/4885P2RY1 14/4885
US-11208414-B2 Ectonucleotidase inhibitors and methods of use thereof ENTPD5, NT5E, ENTPD1 NT5E 2/4885CD99 1611/4885P2RY1 19/4885
US-20180072742-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 NT5E 1/4885CD99 2641/4885P2RY1 21/4885
US-10472364-B2 Ectonucleotidase inhibitors and methods of use thereof ENTPD5, NT5E, ENTPD1 NT5E 2/4885CD99 1611/4885P2RY1 19/4885
US-20200087310-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 NT5E 1/4885CD99 2641/4885P2RY1 21/4885

“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.

Send feedback