SCHEMBL22569936

SCHEMBL22569936

COc1nc(OC)c2occc2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
HPGD P15428 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
CYP1A2 P05177 3/20 0.32
CYP2C19 P33261 2/20 0.32
TSHR P16473 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2A6 P11509 1/20 0.32
MAOA P21397 1/20 0.32
ACHE P22303 1/20 0.32
PDE4A P27815 1/20 0.32
MAPK1 P28482 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CYP2A13 Q16696 1/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
PIK3CD O00329 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
SCHEMBL7601802 0.80 ALDH1A1 (0.37) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL8135245 0.73 ALDH1A1 (0.48) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL12559307 0.72 IRAK4 (0.46) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL29487316 0.69 MAPT (0.56) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL317214 0.69 MAPT (0.56) ALDH1A1HPGDMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL8442906 0.68 MAPT (0.54) ALDH1A1HPGDMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL27432557 0.67 MAPT (0.53) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL7013099 0.65 TRPA1 (0.54) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL29397760 0.64
SCHEMBL22579727 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024233605-A1 COMPOUNDS AND THEIR USE AGAINST CANCER TANGO THERAPEUTICS, INC. (US) 2024-11-14 WO disclosed
US-20220204539-A1 CD73 INHIBITORS BIOARDIS LLC 2022-06-30 US disclosed
US-20220204539-A1 CD73 INHIBITORS BIOARDIS LLC 2022-06-30 US disclosed
CN-114286824-A CD73 inhibitor 博奥阿迪斯生物科技公司 2022-04-05 CN disclosed
EP-3956341-A1 CD73 INHIBITORS Bioardis LLC (US) 2022-02-23 EP disclosed
WO-2020210970-A1 IMIDAZOTRIAZINE DERIVATIVES AS CD73 INHIBITORS BIOARDIS LLC (US) 2020-10-22 WO disclosed
WO-2020211672-A1 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 ALDH1A1 728/4885HPGD 585/4885MEN1 2540/4885

“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.