SCHEMBL22569895

SCHEMBL22569895

F[C@H]1[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O[C@H]1c1cnc2c(NCc3ccccc3)ncnn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.42
▸ HTR1A P08908 1/20 0.37
▸ HTT P42858 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PTPN1 P18031 6/20 0.34
▸ CDC25B P30305 6/20 0.34
▸ SRC P12931 2/20 0.34
▸ BCHE P06276 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ PTPN2 P17706 2/20 0.33
▸ PTPN6 P29350 2/20 0.33
▸ PTPN11 Q06124 2/20 0.33
▸ CA1 P00915 1/20 0.33

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
SCHEMBL29397763 1.00 PDE2A (0.42) PDE2AHTR1AHTTKDM4ETSHR
SCHEMBL18787319 0.86 PDE2A (0.50) PDE2AHTR1APTPN1CDC25BBCHE
SCHEMBL24557909 0.85 PDE2A (0.43) PDE2AHTR1APTPN1CDC25BBCHE
SCHEMBL29397234 0.85 PDE2A (0.43) PDE2AHTR1APTPN1CDC25BBCHE
SCHEMBL13648975 0.82 HTR1A (0.38) PDE2AHTR1APTPN1CDC25BBCHE
SCHEMBL22569957 0.79 HTR1A (0.38) PDE2AHTR1AKDM4ESRCBCHE
SCHEMBL29398378 0.79 HTR1A (0.38) PDE2AHTR1AKDM4ESRCBCHE
SCHEMBL22570013 0.79 HTR1A (0.41) PDE2AHTR1APTPN1CDC25BBCHE
SCHEMBL22569897 0.78 ADORA3 (0.49) —
SCHEMBL25379329 0.78 PDE2A (0.44) PDE2AHTR1APTPN1CDC25BBCHE

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
WO-2020210970-A1 IMIDAZOTRIAZINE DERIVATIVES AS CD73 INHIBITORS BIOARDIS LLC (US) 2020-10-22 — — WO 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 431/4885HTR1A 2118/4885HTT 3115/4885

“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.

Send feedback