SCHEMBL20168327

SCHEMBL20168327

O=Cc1cnn(-c2cc(NC(=O)O)ccn2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH2 Q6NS38 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GRIN2D O15399 2/20 0.34
GRIN3B O60391 2/20 0.34
GRIN1 Q05586 2/20 0.34
GRIN2A Q12879 2/20 0.34
GRIN2B Q13224 2/20 0.34
GRIN2C Q14957 2/20 0.34
GRIN3A Q8TCU5 2/20 0.34
SORT1 Q99523 3/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
CYP1A2 P05177 1/20 0.33
KDM2B Q8NHM5 1/20 0.32
AR P10275 1/20 0.32
SMARCA2 P51531 2/20 0.32
SMARCA4 P51532 2/20 0.32

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
SCHEMBL20177083 0.81 GRIN2D (0.38) NPC1RAB9ASMN1; SMN2GRIN2DGRIN3B
SCHEMBL20575020 0.80 MAPK8 (0.33) NPC1RAB9ASMN1; SMN2GRIN2DGRIN3B
SCHEMBL18585844 0.78 ALDH1A1 (0.48) ALKBH2EGLN1NPC1RAB9ASMN1; SMN2
SCHEMBL22831702 0.77 SMN1; SMN2 (0.48) ALKBH2NPC1RAB9ASMN1; SMN2HDAC1
SCHEMBL30445068 0.75 MTOR (0.35) ALKBH2EGLN1NPC1RAB9ASMN1; SMN2
SCHEMBL20168528 0.75 MTOR (0.35) ALKBH2EGLN1NPC1RAB9ASMN1; SMN2
SCHEMBL28362215 0.73 KMT2A (0.36) ALKBH2EGLN1NPC1RAB9ASMN1; SMN2
SCHEMBL20575548 0.73 RAB9A (0.38) ALKBH2EGLN1NPC1RAB9ASMN1; SMN2
SCHEMBL20575343 0.72 GRM5 (0.45) EGLN1MTOR
SCHEMBL30445234 0.72 GRM5 (0.45) EGLN1MTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
EP-3630752-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS Bristol-Myers Squibb Company (US) 2020-04-08 EP 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-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 ALKBH2 3631/4885EGLN1 3938/4885NPC1 696/4885
US-10723723-B2 Substituted bicycle heterocyclic derivatives useful as ROMK channel inhibitors KCNB1, CACNA1E, GRK1 ALKBH2 4624/4885EGLN1 3974/4885NPC1 895/4885
US-20190248769-A1 SUBSTITUTED BICYCLE HETEROCYCLIC DERIVATIVES USEFUL AS ROMK CHANNEL INHIBITORS KCNB1, CACNA1E, GRK1 ALKBH2 4624/4885EGLN1 3974/4885NPC1 895/4885
US-20180346453-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS NR0B1, GRK1, GRIN1 ALKBH2 3631/4885EGLN1 3938/4885NPC1 696/4885
US-20200109135-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS NR0B1, GRK1, GRIN1 ALKBH2 3631/4885EGLN1 3938/4885NPC1 696/4885
US-20200339550-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS NR0B1, GRK1, GRIN1 ALKBH2 3631/4885EGLN1 3938/4885NPC1 696/4885

“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.