SCHEMBL1010247

SCHEMBL1010247

O=C(O)c1ccc(-c2cnco2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.59
NPC1 O15118 3/20 0.59
LMNA P02545 2/20 0.59
KDM4E B2RXH2 2/20 0.59
RAB9A P51151 2/20 0.59
ALDH1A1 P00352 1/20 0.59
NOTUM Q6P988 1/20 0.56
GAA P10253 1/20 0.56
PTK2 Q05397 1/20 0.55
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
KEAP1 Q14145 1/20 0.51
HTT P42858 1/20 0.51
HDAC4 P56524 2/20 0.50
HDAC3 O15379 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50

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
SCHEMBL5775952 0.88 NPC1 (0.49) PKMNPC1LMNAKDM4ERAB9A
SCHEMBL2431912 0.84 PKM (0.59) PKMNPC1LMNAKDM4ERAB9A
SCHEMBL1010203 0.84 MYC (0.62) PKMNPC1LMNAKDM4ERAB9A
SCHEMBL2422300 0.84 NOTUM (0.59) PKMNPC1LMNAKDM4ERAB9A
SCHEMBL3192266 0.82 PRF1 (0.50) PKMNPC1LMNAKDM4ERAB9A
SCHEMBL10768177 0.82 PKM (0.78) PKMNPC1LMNAKDM4ERAB9A
SCHEMBL5775956 0.80 GAA (0.61) PKMNPC1LMNAKDM4ERAB9A
SCHEMBL2434096 0.80 GAA (0.54) PKMNPC1LMNAKDM4ERAB9A
SCHEMBL64372 0.80 PKM (0.55) PKMNPC1LMNAKDM4ERAB9A
SCHEMBL940586 0.80 KEAP1 (0.59) PKMNPC1LMNAKDM4ERAB9A

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 154 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
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-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
US-20230026271-A1 Piperazine Compounds for Inhibiting CPS1 EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-01-26 US disclosed
EP-4061803-A1 PIPERAZINE COMPOUNDS FOR INHIBITING CPS1 Eisai R&D Management Co., Ltd. (JP) 2022-09-28 EP disclosed
EP-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP disclosed
WO-2003022214-A2 PIPERAZINE AND HOMOPIPERAZINE COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-03-20 WO disclosed
US-6489344-B1 FOR TREATMENT DIABETES IN A HUMAN OR ANIMAL SUBJECT CHIRON CORPORATION 2002-12-03 US disclosed
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2002-10-24 US disclosed
US-6417185-B1 HETEROCYCLIC ENZYME INHIBITORS CHIRON CORPORATION 2002-07-09 US disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO disclosed
EP-1087963-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 Chiron Corporation (US) 2001-04-04 EP disclosed
WO-1999065897-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 1999-12-23 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 (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-20230203058-A1 MACROCYCLIC DIAMINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS ENTPD1, SLC29A1, ENTPD5 PKM 3550/4885NPC1 462/4885LMNA 3959/4885
US-20230026271-A1 Piperazine Compounds for Inhibiting CPS1 CPS1, CPSF1, CPSF7 PKM 3923/4885NPC1 887/4885LMNA 4064/4885
US-20020156087-A1 Inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, PYGB PKM 356/4885NPC1 1941/4885LMNA 985/4885

“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.