SCHEMBL20176967

SCHEMBL20176967

CCc1nn(-c2ccc(C=O)cn2)cc1C#N

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 9/20 0.45
RET P07949 2/20 0.31
MAPT P10636 1/20 0.30
CHEK1 O14757 1/20 0.30
KDM4E B2RXH2 1/20 0.30
EGLN1 Q9GZT9 1/20 0.30

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
SCHEMBL20168471 0.83 KCNJ1 (0.44) KCNJ1
SCHEMBL20168543 0.81 KCNJ1 (0.46) KCNJ1MAPTCHEK1KDM4EEGLN1
SCHEMBL20177186 0.78 KCNJ1 (0.47) KCNJ1RETKDM4E
SCHEMBL20168186 0.76 KCNJ1 (0.46) KCNJ1KDM4EEGLN1
SCHEMBL20574782 0.76 KCNJ1 (0.48) KCNJ1RETEGLN1
SCHEMBL30444286 0.76 KCNJ1 (0.48) KCNJ1RETEGLN1
SCHEMBL20574271 0.74 KCNJ1 (0.49) KCNJ1CHEK1KDM4EEGLN1
SCHEMBL20574678 0.73 KCNJ1 (0.51) KCNJ1CHEK1KDM4EEGLN1
SCHEMBL21850904 0.72 KCNJ1 (0.46) KCNJ1RET
SCHEMBL24135532 0.72 KCNJ1 (0.42) KCNJ1

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
EP-3630752-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS Bristol-Myers Squibb Company (US) 2020-04-08 EP disclosed
CN-110678463-A Substituted nitrogen-containing compounds 百时美施贵宝公司 2020-01-10 CN 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-2018222795-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-12-06 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 562/4885RET 663/4885MAPT 3601/4885
US-20240327390-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS NR0B1, GRK1, GRIN1 KCNJ1 562/4885RET 663/4885MAPT 3601/4885
US-10723723-B2 Substituted bicycle heterocyclic derivatives useful as ROMK channel inhibitors KCNB1, CACNA1E, GRK1 KCNJ1 85/4885RET 701/4885MAPT 4025/4885
US-20190248769-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS KCNB1, CACNA1E, GRK1 KCNJ1 85/4885RET 701/4885MAPT 4025/4885
US-20180346453-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS NR0B1, GRK1, GRIN1 KCNJ1 562/4885RET 663/4885MAPT 3601/4885
US-20200109135-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS NR0B1, GRK1, GRIN1 KCNJ1 562/4885RET 663/4885MAPT 3601/4885

“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.