SCHEMBL21594947

SCHEMBL21594947

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc(Cl)nc2c1ncn2C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.35
HTR2C P28335 4/20 0.34
HTR2B P41595 4/20 0.34
TMIGD3 P0DMS9 3/20 0.34
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
POLB P06746 1/20 0.31
PIK3CD O00329 1/20 0.30
CDK1 P06493 1/20 0.30

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
SCHEMBL26068372 0.87 MCL1 (0.32) PIK3CD
SCHEMBL29707109 0.81 PIK3CD (0.38) PIK3CD
SCHEMBL17017085 0.81 PIK3CD (0.38) PIK3CD
SCHEMBL29124866 0.80 CDK1 (0.51) ADORA3HSP90AA1HSP90AB1CDK1
SCHEMBL15199720 0.77 MCL1 (0.32) PIK3CD
SCHEMBL27157711 0.76 NT5E (0.44) HSP90AA1HSP90AB1POLBCDK1
SCHEMBL21176131 0.76 CHKA (0.42) ADORA3HTR2CHTR2BTMIGD3
SCHEMBL21176132 0.76 CHKA (0.42) ADORA3HTR2CHTR2BTMIGD3
SCHEMBL21176120 0.74 CHKA (0.45)
SCHEMBL19820509 0.74 CHKA (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12421273-B2 Ectonucleotidase inhibitors and methods of use thereof ANTENGENE THERAPEUTICS LIMITED (CN) 2025-09-23 US disclosed
US-20240132533-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENT THERAPEUTICS LIMITED (CN) 2024-04-25 US disclosed
US-11858957-B2 Ectonucleotidase inhibitors and methods of use thereof ANTENGENT THERAPEUTICS LIMITED (CN) 2024-01-02 US disclosed
US-20230022922-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2023-01-26 US disclosed
US-11078228-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2021-08-03 US disclosed
US-20190389899-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF ANTENGENE THERAPEUTICS LIMITED (CN) 2019-12-26 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 (6 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-20240132533-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 ADORA3 23/4885HTR2C 448/4885HTR2B 556/4885
US-20230022922-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 ADORA3 23/4885HTR2C 448/4885HTR2B 556/4885
US-11858957-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 ADORA3 23/4885HTR2C 448/4885HTR2B 556/4885
US-12421273-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 ADORA3 23/4885HTR2C 448/4885HTR2B 556/4885
US-20190389899-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 ADORA3 23/4885HTR2C 448/4885HTR2B 556/4885
US-11078228-B2 Ectonucleotidase inhibitors and methods of use thereof NT5E, ENTPD5, NT5C2 ADORA3 23/4885HTR2C 448/4885HTR2B 556/4885

“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.