SCHEMBL20168096

SCHEMBL20168096

Cc1nc(Br)ncc1C#N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
MBOAT4 Q96T53 3/20 0.37
KDR P35968 2/20 0.35
ABL1 P00519 1/20 0.35
KDM4E B2RXH2 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
MEN1 O00255 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
CDK1 P06493 1/20 0.32
IDH1 O75874 1/20 0.32
ALDH1A1 P00352 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
TSHR P16473 2/20 0.31
HPGD P15428 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2C9 P11712 2/20 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
SCHEMBL15434635 0.78 CSNK1A1 (0.39) CSNK1A1CLK4MBOAT4KDRKDM4E
SCHEMBL28140307 0.78 CSNK1A1 (0.39) CSNK1A1CLK4KDRABL1ADORA2A
SCHEMBL13523666 0.76 KDM4E (0.41) CSNK1A1CLK4MBOAT4KDRKDM4E
SCHEMBL24135156 0.75 CSNK1A1 (0.60) CSNK1A1CLK4MBOAT4KDRKDM4E
SCHEMBL1143690 0.75 CSNK1A1 (0.60) CSNK1A1CLK4KDRABL1KDM4E
SCHEMBL1579901 0.75 ADORA2A (0.51) CSNK1A1CLK4MBOAT4KDM4ESMN1; SMN2
SCHEMBL28110085 0.75 CSNK1A1 (0.37) CSNK1A1CLK4MBOAT4KDRKDM4E
SCHEMBL28797799 0.75
SCHEMBL15508446 0.72 MBOAT4 (0.47) CSNK1A1CLK4MBOAT4KDM4EKMT2A
SCHEMBL16476800 0.72 MBOAT4 (0.35) CSNK1A1CLK4MBOAT4KDRKDM4E

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 28 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
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
EP-3535258-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS Bristol-Myers Squibb Company (US) 2019-09-11 EP disclosed
CN-110139862-A It can be used as the bicyclic heterocycles derivative of ROMK channel inhibitor being substituted 百时美施贵宝公司 2019-08-16 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
WO-2018222795-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-12-06 WO 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 (4 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 CSNK1A1 31/4885CLK4 1166/4885MBOAT4 2862/4885
US-20240327390-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS NR0B1, GRK1, GRIN1 CSNK1A1 31/4885CLK4 1166/4885MBOAT4 2862/4885
US-20190248769-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS KCNB1, CACNA1E, GRK1 CSNK1A1 208/4885CLK4 694/4885MBOAT4 3267/4885
US-20180346453-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS NR0B1, GRK1, GRIN1 CSNK1A1 31/4885CLK4 1166/4885MBOAT4 2862/4885

“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.