SCHEMBL20574336

SCHEMBL20574336

[2H]C([2H])([2H])Oc1cc(-n2ncc(CO)n2)ncc1C#N

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 14/20 0.41
P2RX7 Q99572 1/20 0.35
KCNH2 Q12809 3/20 0.34
KDM4E B2RXH2 1/20 0.32
ABCB11 O95342 1/20 0.32
POU2F2 P09086 1/20 0.32
POU2F1 P14859 1/20 0.32
SLC47A1 Q96FL8 1/20 0.32
GRM4 Q14833 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
MAOA P21397 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
SCHEMBL30445215 1.00 KCNJ1 (0.41) KCNJ1P2RX7KCNH2KDM4EABCB11
SCHEMBL26536810 0.92 KCNJ1 (0.47) KCNJ1P2RX7KDM4E
SCHEMBL20168335 0.80 KCNJ1 (0.48) KCNJ1P2RX7KCNH2KDM4EABCB11
SCHEMBL30445113 0.80 KCNJ1 (0.48) KCNJ1P2RX7KCNH2KDM4EABCB11
SCHEMBL20574722 0.78 KCNJ1 (0.46) KCNJ1P2RX7KCNH2
SCHEMBL30444699 0.78 KCNJ1 (0.46) KCNJ1P2RX7KCNH2
SCHEMBL21243688 0.71 KCNJ1 (0.47) KCNJ1KCNH2KDM4EABCB11POU2F2
SCHEMBL20574767 0.71 KCNJ1 (0.47) KCNJ1P2RX7KCNH2KDM4E
SCHEMBL30445166 0.71 KCNJ1 (0.47) KCNJ1P2RX7KCNH2KDM4E
SCHEMBL20574893 0.70 KCNJ1 (0.45) KCNJ1P2RX7KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327390-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2024-10-03 US disclosed
EP-3929194-B1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2024-04-17 EP disclosed
US-RE49700-E1 Substituted nitrogen containing compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-17 US disclosed
US-20230124468-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2023-04-20 US disclosed
EP-3929194-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS Bristol-Myers Squibb Company (US) 2021-12-29 EP disclosed
EP-3630752-B1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-06-30 EP disclosed
US-20200339550-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-10-29 US disclosed
US-20200109135-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-04-09 US disclosed
EP-3630752-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS Bristol-Myers Squibb Company (US) 2020-04-08 EP disclosed
US-20180346453-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2018-12-06 US disclosed
WO-2018222795-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-12-06 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 (5 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-20230124468-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS NR0B1, GRK1, GRIN1 KCNJ1 562/4885P2RX7 3198/4885KCNH2 382/4885
US-20240327390-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS NR0B1, GRK1, GRIN1 KCNJ1 562/4885P2RX7 3198/4885KCNH2 382/4885
US-20180346453-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS NR0B1, GRK1, GRIN1 KCNJ1 562/4885P2RX7 3198/4885KCNH2 382/4885
US-20200109135-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS NR0B1, GRK1, GRIN1 KCNJ1 562/4885P2RX7 3198/4885KCNH2 382/4885
US-20200339550-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS NR0B1, GRK1, GRIN1 KCNJ1 562/4885P2RX7 3198/4885KCNH2 382/4885

“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.