SCHEMBL19968950

SCHEMBL19968950

Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](COCc2ccccc2)C(F)(F)C1(F)F

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 8/20 0.62
NT5E P21589 11/20 0.47
ADORA2A P29274 1/20 0.47

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
SCHEMBL19961902 0.80 ADORA2A (0.55) PDE2ANT5EADORA2A
SCHEMBL19974427 0.75 ADORA2A (0.68) PDE2ANT5EADORA2A
SCHEMBL19987256 0.72 ADORA2A (0.61) PDE2ANT5EADORA2A
SCHEMBL19974361 0.72 ADORA2A (0.61) PDE2ANT5EADORA2A
SCHEMBL19974455 0.71 PDE2A (0.53) PDE2ANT5EADORA2A
SCHEMBL22700147 0.71 PDE2A (0.53) PDE2ANT5EADORA2A
SCHEMBL19974417 0.71 PDE2A (0.51) PDE2ANT5EADORA2A
SCHEMBL22700332 0.71 PDE2A (0.57) PDE2ANT5EADORA2A
SCHEMBL19974448 0.70 ADORA2A (0.55) PDE2ANT5EADORA2A
SCHEMBL23743767 0.69 PDE2A (0.81) PDE2ANT5E

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 4 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-10472364-B2 Ectonucleotidase inhibitors and methods of use thereof CALITHERA BIOSCIENCES, INC. (US) 2019-11-12 US disclosed
WO-2018119284-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF CALITHERA BIOSCIENCES, INC. (US) 2018-06-28 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 (3 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 PDE2A 175/4885NT5E 1/4885ADORA2A 27/4885
US-10472364-B2 Ectonucleotidase inhibitors and methods of use thereof ENTPD5, NT5E, ENTPD1 PDE2A 274/4885NT5E 2/4885ADORA2A 11/4885
US-20230002437-A1 ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF NT5E, ENTPD5, NT5C2 PDE2A 175/4885NT5E 1/4885ADORA2A 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.