SCHEMBL24557992

SCHEMBL24557992

Clc1nc(N[C@H]2CCc3ccccc32)c2ncc([C@@H]3O[C@H](COCc4ccccc4)[C@@H](OCc4ccccc4)[C@H]3OCc3ccccc3)n2n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.38
▸ NT5E P21589 2/20 0.37
▸ P2RX7 Q99572 4/20 0.36
▸ BCHE P06276 1/20 0.35
▸ HTR1A P08908 1/20 0.34
▸ NAE1 Q13564 2/20 0.34
▸ UBA3 Q8TBC4 2/20 0.34
▸ UBA6 A0AVT1 1/20 0.34
▸ ATG7 O95352 1/20 0.34
▸ UBA7 P41226 1/20 0.34
▸ SAE1 Q9UBE0 1/20 0.34
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ AURKA O14965 1/20 0.31
▸ RPS6KB1 P23443 1/20 0.31
▸ GBA1 P04062 1/20 0.31

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
SCHEMBL22579639 0.86 PDE2A (0.41) PDE2ANT5EBCHEHTR1ACA1
SCHEMBL22569903 0.86 PDE2A (0.41) PDE2ANT5EBCHEHTR1ACA1
SCHEMBL29398012 0.83 NT5E (0.38) PDE2ANT5EP2RX7BCHENAE1
SCHEMBL22579634 0.83 NT5E (0.38) PDE2ANT5EP2RX7BCHENAE1
SCHEMBL29398438 0.79 PDE2A (0.46) PDE2ANT5EBCHEHTR1A
SCHEMBL24557950 0.78 HTR1A (0.37) PDE2ANT5EBCHEHTR1ACA1
SCHEMBL24557961 0.77 PDE2A (0.41) PDE2ANT5EBCHEHTR1ACA1
SCHEMBL22579637 0.77 UBA6 (0.40) NAE1UBA3UBA6ATG7UBA7
SCHEMBL29398454 0.77 UBA6 (0.40) NAE1UBA3UBA6ATG7UBA7
SCHEMBL22569907 0.75 PDE2A (0.40) PDE2ANT5EBCHEHTR1ACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220204539-A1 CD73 INHIBITORS BIOARDIS LLC 2022-06-30 — — US disclosed
US-20220204539-A1 CD73 INHIBITORS BIOARDIS LLC 2022-06-30 — — 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 (1 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-20220204539-A1 CD73 INHIBITORS ENTPD5, ENTPD1, ENTPD2 PDE2A 431/4885NT5E 8/4885P2RX7 77/4885

“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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