SCHEMBL19948581

SCHEMBL19948581

CC(C)(C)OC(=O)O[C@@H]1[C@@H](F)[C@H](n2cnc3c(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc(Cl)nc32)O[C@@H]1CO

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADORA2A P29274 1/20 0.47
ADORA1 P30542 1/20 0.47
ADRA1A P35348 1/20 0.47
PDE4D Q08499 1/20 0.47
PDE3A Q14432 1/20 0.47
NT5E P21589 16/20 0.44
LMNA P02545 2/20 0.42
TP53 P04637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CD99 P14209 1/20 0.41

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
SCHEMBL19948584 1.00 PDE2A (0.47) PDE2AADORA3ADORA2AADORA1ADRA1A
SCHEMBL20305395 1.00 PDE2A (0.47) PDE2AADORA3ADORA2AADORA1ADRA1A
SCHEMBL20305394 1.00 PDE2A (0.47) PDE2AADORA3ADORA2AADORA1ADRA1A
SCHEMBL30262559 1.00 PDE2A (0.47) PDE2AADORA3ADORA2AADORA1ADRA1A
SCHEMBL20305246 0.93 LMNA (0.49) PDE2AADORA3ADORA2AADORA1ADRA1A
SCHEMBL20347235 0.89 LMNA (0.44) PDE2AADORA3ADORA2AADORA1ADRA1A
SCHEMBL19948520 0.89 NT5E (0.55) PDE2ANT5ELMNATP53ALDH1A1
SCHEMBL19961874 0.88 PDE2A (0.49) PDE2AADORA3ADORA2AADORA1ADRA1A
SCHEMBL19949168 0.87 NT5E (0.53) PDE2ANT5ELMNATP53ALDH1A1
SCHEMBL21291968 0.87 PDE2A (0.64) PDE2AADORA3ADORA2AADORA1ADRA1A

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 PDE2A 175/4885ADORA3 23/4885ADORA2A 27/4885
US-20200223882-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 PDE2A 175/4885ADORA3 23/4885ADORA2A 27/4885
US-11034715-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 PDE2A 175/4885ADORA3 23/4885ADORA2A 27/4885
US-11174261-B2 ENTPD5, NT5E, ENTPD1 PDE2A 244/4885ADORA3 18/4885ADORA2A 9/4885
US-11208414-B2 Ectonucleotidase inhibitors and methods of use thereof ENTPD5, NT5E, ENTPD1 PDE2A 274/4885ADORA3 17/4885ADORA2A 11/4885
US-20180072742-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 PDE2A 175/4885ADORA3 23/4885ADORA2A 27/4885
US-10472364-B2 Ectonucleotidase inhibitors and methods of use thereof ENTPD5, NT5E, ENTPD1 PDE2A 274/4885ADORA3 17/4885ADORA2A 11/4885
US-10570167-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 PDE2A 175/4885ADORA3 23/4885ADORA2A 27/4885
US-20200087310-A1 Ectonucleotidase Inhibitors and Methods of Use Thereof NT5E, ENTPD5, NT5C2 PDE2A 175/4885ADORA3 23/4885ADORA2A 27/4885
US-20230002437-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 PDE2A 175/4885ADORA3 23/4885ADORA2A 27/4885

“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.