SCHEMBL2179287

SCHEMBL2179287

CCN(CC)CCNc1ccc(-c2nnc3c(n2)c(=O)n(C)c(=O)n3Cc2cccnc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.40
GRIN1 Q05586 13/20 0.40
GRIN2B Q13224 13/20 0.40
PKM P14618 2/20 0.39
ALDH1A1 P00352 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL2181258 0.95 HIF1A (0.39) HIF1AGRIN1GRIN2BPKMALDH1A1
SCHEMBL2183539 0.92 GRIN1 (0.41) HIF1AGRIN1GRIN2BPKMALDH1A1
SCHEMBL2182212 0.88 GRIN1 (0.44) HIF1AGRIN1GRIN2BALDH1A1NPSR1
SCHEMBL2180058 0.88 TP53 (0.45) ALDH1A1MAPTMAPK1HPGD
SCHEMBL2184529 0.87 GRIN1 (0.43) HIF1AGRIN1GRIN2BALDH1A1NPSR1
SCHEMBL2179044 0.86 HIF1A (0.42) HIF1AGRIN1GRIN2BPKMALDH1A1
SCHEMBL2182780 0.86 GRIN1 (0.40) HIF1AGRIN1GRIN2BPKMALDH1A1
SCHEMBL2180850 0.86 GRIN1 (0.40) HIF1AGRIN1GRIN2BPKMALDH1A1
SCHEMBL2181255 0.86 GRIN1 (0.40) HIF1AGRIN1GRIN2BPKMALDH1A1
SCHEMBL2183775 0.85 ADORA2A (0.46) HIF1AGRIN1GRIN2BPKMALDH1A1

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 HIF1A 1000/4885GRIN1 4764/4885GRIN2B 3116/4885
US-20110166144-A1 Pyrimidotriazinediones and Pyrimidopyrimidinediones and Methods of Using the Same DPYD, TYMP, DHFR HIF1A 3662/4885GRIN1 2564/4885GRIN2B 2081/4885

“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.