SCHEMBL2183775

SCHEMBL2183775

CCN(CC)CCOc1ccc(-c2nnc3c(n2)c(=O)n(C)c(=O)n3Cc2cccnc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.46
ADORA1 P30542 2/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADORA2B P29275 1/20 0.46
HIF1A Q16665 3/20 0.42
RIPK2 O43353 5/20 0.41
NOD2 Q9HC29 5/20 0.41
ACVR1 Q04771 4/20 0.41
GRIN1 Q05586 3/20 0.41
GRIN2B Q13224 3/20 0.41
PKM P14618 2/20 0.41
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
LYN P07948 1/20 0.40
USP1 O94782 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TCF4 P15884 1/20 0.40
CTNNB1 P35222 1/20 0.40
KCNA5 P22460 1/20 0.40

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
SCHEMBL2182074 0.96 KCNA5 (0.44) ADORA2AADORA1ADORA3ADORA2BHIF1A
SCHEMBL2180850 0.92 GRIN1 (0.40) ADORA2AADORA1ADORA3ADORA2BHIF1A
SCHEMBL2182780 0.92 GRIN1 (0.40) ADORA2AADORA1ADORA3ADORA2BHIF1A
SCHEMBL3259470 0.92 USP1 (0.48) ADORA2AADORA1ADORA3ADORA2BHIF1A
SCHEMBL2183231 0.91 ADORA2A (0.49) ADORA2AADORA1ADORA3ADORA2BRIPK2
SCHEMBL2181785 0.89 MET (0.45) ADORA2AADORA1ADORA3ADORA2BHIF1A
SCHEMBL2181968 0.88 GRIN1 (0.44) HIF1AGRIN1GRIN2BPKMALDH1A1
SCHEMBL2183475 0.87 GRIN1 (0.43) HIF1AGRIN1GRIN2BPKMALDH1A1
SCHEMBL2181035 0.86 HIF1A (0.46) ADORA3HIF1AGRIN1GRIN2BPKM
SCHEMBL2179910 0.86 ADORA2A (0.45) ADORA2AADORA1ADORA3ADORA2BRIPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230181524-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF NATURAL MEDICINE INSTITUTE OF ZHEJIANG YANGSHENGTANG CO., LTD. (CN) 2023-06-15 US disclosed
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-07 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 (2 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-20230181524-A1 PHARMACEUTICAL COMBINATION AND USE THEREOF TCF4, TCF7L2, CTNNB1 ADORA2A 2201/4885ADORA1 1713/4885ADORA3 2216/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR ADORA2A 836/4885ADORA1 1150/4885ADORA3 702/4885

“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.