SCHEMBL19948559

SCHEMBL19948559

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ LMNA P02545 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ ADORA3 P0DMS8 4/20 0.42
▸ ADORA1 P30542 4/20 0.42
▸ ADORA2A P29274 3/20 0.42
▸ PDE2A O00408 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ NT5E P21589 4/20 0.41
▸ CD79B P40259 1/20 0.40
▸ ADORA2B P29275 1/20 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
SCHEMBL30115165 0.96 ALDH1A1 (0.51) ALDH1A1HIF1ALMNATP53ADORA3
SCHEMBL19961921 0.96 ALDH1A1 (0.51) ALDH1A1HIF1ALMNATP53ADORA3
SCHEMBL19961895 0.89 ALDH1A1 (0.42) ALDH1A1HIF1ALMNATP53ADORA3
SCHEMBL19961898 0.89 ALDH1A1 (0.42) ALDH1A1HIF1ALMNATP53ADORA3
SCHEMBL19948890 0.88 LMNA (0.37) ALDH1A1HIF1ALMNATP53ADORA3
SCHEMBL19949327 0.84 NT5E (0.51) ALDH1A1HIF1AADORA3NT5ECD79B
SCHEMBL30115171 0.84 LMNA (0.38) ALDH1A1HIF1ALMNATP53ADORA3
SCHEMBL19961913 0.84 LMNA (0.38) ALDH1A1HIF1ALMNATP53ADORA3
SCHEMBL20347290 0.84 LMNA (0.38) ALDH1A1HIF1ALMNATP53ADORA3
SCHEMBL20347308 0.82 LMNA (0.52) LMNATP53ADORA3ADORA1ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002437-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2023-01-05 — — 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-11034715-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2021-06-15 — — US disclosed
US-20200223882-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2020-07-16 — — US disclosed
US-20200087310-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2020-03-19 — — US disclosed
US-10570167-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2020-02-25 — — US disclosed
US-10472364-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2019-11-12 — — US disclosed
EP-3558998-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF Calithera Biosciences, Inc. (US) 2019-10-30 — — EP disclosed
EP-3510040-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF Calithera Biosciences, Inc. (US) 2019-07-17 — — EP disclosed
US-20180186827-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2018-07-05 — — US disclosed
WO-2018119284-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF CALITHERA BIOSCIENCES, INC. (US) 2018-06-28 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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 ALDH1A1 527/4885HIF1A 1486/4885LMNA 2684/4885
US-20200223882-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 ALDH1A1 527/4885HIF1A 1486/4885LMNA 2684/4885
US-11034715-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 ALDH1A1 527/4885HIF1A 1486/4885LMNA 2684/4885
US-11174261-B2 — ENTPD5, NT5E, ENTPD1 ALDH1A1 119/4885HIF1A 844/4885LMNA 2528/4885
US-11208414-B2 Ectonucleotidase inhibitors and methods of use thereof ENTPD5, NT5E, ENTPD1 ALDH1A1 367/4885HIF1A 1639/4885LMNA 2056/4885
US-20180072742-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 ALDH1A1 527/4885HIF1A 1486/4885LMNA 2684/4885
US-10472364-B2 Ectonucleotidase inhibitors and methods of use thereof ENTPD5, NT5E, ENTPD1 ALDH1A1 367/4885HIF1A 1639/4885LMNA 2056/4885
US-10570167-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 ALDH1A1 527/4885HIF1A 1486/4885LMNA 2684/4885
US-20200087310-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 ALDH1A1 527/4885HIF1A 1486/4885LMNA 2684/4885
US-20230002437-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 ALDH1A1 527/4885HIF1A 1486/4885LMNA 2684/4885

“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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