SCHEMBL3022374

SCHEMBL3022374

CC(C)(C)OC(=O)c1nc2cc(N)ccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.41
MAPKAPK2 P49137 1/20 0.40
RPS6KA3 P51812 1/20 0.40
CSNK2A1 P68400 1/20 0.40
PLK3 Q9H4B4 1/20 0.40
GABRA1 P14867 9/20 0.39
GABRG2 P18507 9/20 0.39
GABRB3 P28472 9/20 0.39
GABRA3 P34903 9/20 0.39
GABRA2 P47869 9/20 0.39
GABRA5 P31644 7/20 0.39
GABRA6 Q16445 6/20 0.39
GABRA4 P48169 5/20 0.39
ADORA3 P0DMS8 1/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRE P78334 1/20 0.37
GABRG1 Q8N1C3 1/20 0.37

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
SCHEMBL2557494 0.89 HRH4 (0.53) HRH4NPC1RAB9AGFERPIN1
SCHEMBL4314310 0.84 MAPT (0.44) HRH4MAPKAPK2RPS6KA3CSNK2A1PLK3
SCHEMBL29500514 0.84 MAPT (0.44) HRH4MAPKAPK2RPS6KA3CSNK2A1PLK3
SCHEMBL481566 0.83 EGLN1 (0.40) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL6472733 0.82 TDP1 (0.44) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL26243739 0.82 HRH4 (0.47) HRH4MAPKAPK2RPS6KA3CSNK2A1PLK3
SCHEMBL23745076 0.81 HRH4 (0.44) HRH4MAPKAPK2RPS6KA3CSNK2A1PLK3
SCHEMBL2445669 0.81 ALDH1A1 (0.51) HRH4ADORA3NPC1RAB9AMEN1
SCHEMBL27552206 0.80 XDH (0.52) HRH4GABRA1GABRG2GABRB3GABRA3
SCHEMBL3034403 0.79 ALDH1A1 (0.46) GABRA1GABRG2GABRB3GABRA3GABRA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114728914-B Dioxopiperazine derivative, preparation method thereof and application thereof in medicines 深圳信立泰药业股份有限公司 2023-05-12 CN disclosed
CN-114728914-A Dioxopiperazine derivative, preparation method and medical application thereof 深圳信立泰药业股份有限公司 2022-07-08 CN disclosed
WO-2021110076-A1 OXAMIDE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 深圳信立泰药业股份有限公司 2021-06-10 WO disclosed
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 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 (1 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-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 HRH4 2569/4885MAPKAPK2 3973/4885RPS6KA3 3420/4885

“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.