SCHEMBL20168092

SCHEMBL20168092

Cc1cc(-n2nc(C)c(CO)n2)ncc1C#N

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 13/20 0.48
S1PR2 O95136 1/20 0.33
KCNH2 Q12809 2/20 0.33
KDM4E B2RXH2 6/20 0.33
ABCB11 O95342 1/20 0.33
POU2F2 P09086 1/20 0.33
POU2F1 P14859 1/20 0.33
SLC47A1 Q96FL8 1/20 0.33
ALDH1A1 P00352 3/20 0.32
NPSR1 Q6W5P4 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 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
SCHEMBL30445143 1.00 KCNJ1 (0.48) KCNJ1S1PR2KCNH2KDM4EABCB11
SCHEMBL24135356 0.85 KCNJ1 (0.42) KCNJ1KCNH2KDM4EABCB11POU2F2
SCHEMBL20168335 0.78 KCNJ1 (0.48) KCNJ1KCNH2KDM4EABCB11POU2F2
SCHEMBL30445113 0.78 KCNJ1 (0.48) KCNJ1KCNH2KDM4EABCB11POU2F2
SCHEMBL24135382 0.76 KCNJ1 (0.40) KCNJ1KCNH2KDM4EABCB11POU2F2
SCHEMBL20168321 0.76 KCNJ1 (0.42) KCNJ1S1PR2KCNH2KDM4EABCB11
SCHEMBL30445067 0.76 KCNJ1 (0.42) KCNJ1S1PR2KCNH2KDM4EABCB11
SCHEMBL30445202 0.75 KDM4E (0.45) KCNJ1KDM4EALDH1A1SMN1; SMN2RXFP1
SCHEMBL20168547 0.75 KDM4E (0.45) KCNJ1KDM4EALDH1A1SMN1; SMN2RXFP1
SCHEMBL20575072 0.75 NOTUM (0.42) KCNJ1S1PR2KDM4EALDH1A1

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 25 patents — showing the first 20. 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
CN-110139862-B Substituted bicyclic heterocyclic derivatives useful as ROMK channel inhibitors 百时美施贵宝公司 2024-01-16 CN disclosed
US-RE49700-E1 Substituted nitrogen containing compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-17 US disclosed
US-RE49700-E1 Substituted nitrogen containing compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-17 US disclosed
US-RE49700-E1 Substituted nitrogen containing compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-17 US disclosed
CN-110678463-B Substituted nitrogen-containing compounds 百时美施贵宝公司 2023-06-06 CN 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-3929194-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS Bristol-Myers Squibb Company (US) 2021-12-29 EP disclosed
US-10723723-B2 Substituted bicycle heterocyclic derivatives useful as ROMK channel inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2020-07-28 US disclosed
US-20200109135-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-04-09 US disclosed
US-20200109135-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2020-04-09 US disclosed
CN-110678463-A Substituted nitrogen-containing compounds 百时美施贵宝公司 2020-01-10 CN disclosed
EP-3535258-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS Bristol-Myers Squibb Company (US) 2019-09-11 EP disclosed
US-20190248769-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-15 US disclosed
US-20190248769-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2019-08-15 US disclosed
US-20180346453-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2018-12-06 US disclosed
WO-2018093569-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-24 WO disclosed
WO-2018093569-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-24 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 (6 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 562/4885S1PR2 1879/4885KCNH2 382/4885
US-20240327390-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS NR0B1, GRK1, GRIN1 KCNJ1 562/4885S1PR2 1879/4885KCNH2 382/4885
US-10723723-B2 Substituted bicycle heterocyclic derivatives useful as ROMK channel inhibitors KCNB1, CACNA1E, GRK1 KCNJ1 85/4885S1PR2 1053/4885KCNH2 53/4885
US-20190248769-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS KCNB1, CACNA1E, GRK1 KCNJ1 85/4885S1PR2 1053/4885KCNH2 53/4885
US-20180346453-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS NR0B1, GRK1, GRIN1 KCNJ1 562/4885S1PR2 1879/4885KCNH2 382/4885
US-20200109135-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS NR0B1, GRK1, GRIN1 KCNJ1 562/4885S1PR2 1879/4885KCNH2 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.