SCHEMBL2000946

SCHEMBL2000946

O=C(O)CCn1cnnn1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
TP53 P04637 4/20 0.57
EGLN3 Q9H6Z9 2/20 0.50
RAB9A P51151 1/20 0.50
THRB P10828 2/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
HMOX1 P09601 1/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.43
STAT5B P51692 1/20 0.40
ALPG P10696 1/20 0.38

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
Hydrochloric Acid SCHEMBL10639803 0.98 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ATP53EGLN3
SCHEMBL6373759 0.88 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ATP53EGLN3
Hydrochloric Acid SCHEMBL10639827 0.86 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ATP53EGLN3
Hydrochloric Acid SCHEMBL10640131 0.85 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ATP53RAB9A
SCHEMBL10637139 0.85 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ATP53RAB9A
SCHEMBL412431 0.82 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ATP53RAB9A
SCHEMBL10639798 0.82 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ATP53RAB9A
SCHEMBL1178979 0.82 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ATP53RAB9A
SCHEMBL18072250 0.77 TP53 (0.59) ALDH1A1MEN1KMT2ATP53RAB9A
Water SCHEMBL11813782 0.77 HMOX1 (0.51) ALDH1A1MEN1KMT2ATP53RAB9A

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025202864-A1 ENT1 INHIBITORS IN COMBINATION WITH ONCOLYTIC VIRUSES AND THEIR USE IN THE TREATMENT OF CANCER iTeos Belgium SA (BE) 2025-10-02 WO claimed
WO-2025126110-A1 ENT1 INHIBITORS IN COMBINATION WITH BISPECIFIC ANTIBODIES iTeos Belgium SA (BE) 2025-06-19 WO claimed
WO-2025104613-A1 ENT1 INHIBITORS IN COMBINATION WITH CHECKPOINT INHIBITORS iTeos Belgium SA (BE) 2025-05-22 WO claimed
CN-116535365-A Macrocyclic diamine derivatives and their combination with adenosine receptor antagonists as ENT inhibitors for the treatment of cancer ITEOS比利时公司 2023-08-04 CN claimed
US-20230203058-A1 MACROCYCLIC DIAMINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-06-29 US claimed
EP-4132933-A1 MACROCYCLIC DIAMINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-02-15 EP claimed
WO-2025202864-A1 ENT1 INHIBITORS IN COMBINATION WITH ONCOLYTIC VIRUSES AND THEIR USE IN THE TREATMENT OF CANCER iTeos Belgium SA (BE) 2025-10-02 WO disclosed
WO-2025126110-A1 ENT1 INHIBITORS IN COMBINATION WITH BISPECIFIC ANTIBODIES iTeos Belgium SA (BE) 2025-06-19 WO disclosed
WO-2025104613-A1 ENT1 INHIBITORS IN COMBINATION WITH CHECKPOINT INHIBITORS iTeos Belgium SA (BE) 2025-05-22 WO disclosed
CN-114174922-B Photosensitive resin composition and photosensitive element 旭化成株式会社 2025-03-04 CN disclosed
US-11993729-B2 Chemical mechanical polishing composition BASF SE (DE) 2024-05-28 US disclosed
CN-116535365-A Macrocyclic diamine derivatives and their combination with adenosine receptor antagonists as ENT inhibitors for the treatment of cancer ITEOS比利时公司 2023-08-04 CN disclosed
US-20230203058-A1 MACROCYCLIC DIAMINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-06-29 US disclosed
CN-1093701-A Antiretroviral hydrazine derivative CIBA GEIGY AG (CH) 1994-10-19 CN disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 EP disclosed
CN-1068333-A Has hydrazine analog derivative of pharmacologically active and preparation method thereof CIBA GEIGY AG (CH) 1993-01-27 CN disclosed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 EP disclosed
US-4794109-A 6-hydroxy-lower alkylpenem compounds, pharmaceutical preparations that contain these compounds, and the use of the latter CIBA-GEIGY CORPORATION (US) 1988-12-27 US disclosed
EP-0110826-B1 6-HYDROXY LOWER ALKYL PENEM COMPOUNDS, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE CIBA-GEIGY AG (CH) 1987-08-19 EP disclosed
EP-0110826-A1 6-Hydroxy lower alkyl penem compounds, process for their preparation, pharmaceutical compositions containing them and their use CIBA-GEIGY AG (CH) 1984-06-13 EP 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-20230203058-A1 MACROCYCLIC DIAMINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS ENTPD1, SLC29A1, ENTPD5 ALDH1A1 357/4885MEN1 612/4885KMT2A 2100/4885

“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.