SCHEMBL20574129

SCHEMBL20574129

Nc1cccc(-n2cc(C=O)cn2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MTOR P42345 2/20 0.33
GRM4 Q14833 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
ALKBH2 Q6NS38 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
SCHEMBL30444751 1.00 GRIN2D (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL24135536 0.86 GRIN2D (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18586335 0.81 RECQL (0.41) NPC1RAB9ASMN1; SMN2MTORKDM4E
SCHEMBL28358510 0.76 NPC1 (0.35) NPC1RAB9ASMN1; SMN2HDAC1HDAC2
SCHEMBL26522667 0.76 TDO2 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20575548 0.75 RAB9A (0.38) NPC1RAB9ASMN1; SMN2HDAC1HDAC2
SCHEMBL20574912 0.74 TYK2 (0.40) MTOR
SCHEMBL30445631 0.74 TYK2 (0.40) MTOR
SCHEMBL30970909 0.74 ALKBH2 (0.56) NPC1RAB9ASMN1; SMN2MTORGRM4
SCHEMBL3146717 0.74 ALKBH2 (0.56) NPC1RAB9ASMN1; SMN2MTORGRM4

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 18 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-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-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-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
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
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

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 GRIN2D 79/4885GRIN3B 15/4885GRIN1 3/4885
US-20240327390-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS NR0B1, GRK1, GRIN1 GRIN2D 79/4885GRIN3B 15/4885GRIN1 3/4885
US-20180346453-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS NR0B1, GRK1, GRIN1 GRIN2D 79/4885GRIN3B 15/4885GRIN1 3/4885
US-20200109135-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS NR0B1, GRK1, GRIN1 GRIN2D 79/4885GRIN3B 15/4885GRIN1 3/4885
US-20200339550-A1 SUBSTITUTED NITROGEN CONTAINING COMPOUNDS NR0B1, GRK1, GRIN1 GRIN2D 79/4885GRIN3B 15/4885GRIN1 3/4885

“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.