SCHEMBL21366005

SCHEMBL21366005

CC(C)(C)OC(=O)NCCNC(=O)c1cc(Br)cnc1N

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 1/20 0.48
CSNK2A2 P19784 1/20 0.44
CSNK2A1 P68400 1/20 0.44
AAK1 Q2M2I8 2/20 0.40
CA12 O43570 5/20 0.40
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA9 Q16790 5/20 0.40
CHEK2 O96017 3/20 0.39
CHEK1 O14757 2/20 0.39
STK17B O94768 1/20 0.39
STK17A Q9UEE5 1/20 0.39
ACVR1B P36896 1/20 0.38
TGFBR1 P36897 1/20 0.38
ACVRL1 P37023 1/20 0.38
MAPKAPK2 P49137 3/20 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
SCHEMBL29799705 1.00 CSNK1D (0.48) CSNK1DCSNK2A2CSNK2A1AAK1CA12
SCHEMBL21366385 0.81 MAPKAPK2 (0.41) CSNK1DAAK1CA12CA1CA2
SCHEMBL21358401 0.80 CHEK2 (0.44) CHEK2CHEK1
SCHEMBL856285 0.80 HSD17B10 (0.53)
SCHEMBL16996882 0.80 AAK1 (0.38) CSNK1DAAK1MAPKAPK2
SCHEMBL2272717 0.79 CA12 (0.47) CA12CA1CA2CA9CHEK2
SCHEMBL30993280 0.79 MAPKAPK2 (0.42) CSNK1DAAK1MAPKAPK2
SCHEMBL29520111 0.77 EIF2S1 (0.42) CSNK1DCA2CHEK2CHEK1
SCHEMBL1252013 0.77 CHEK2 (0.61) CA2CHEK2CHEK1
SCHEMBL856622 0.76 GAA (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11691967-B2 Antibiotics effective for gram-negative pathogens THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-07-04 US disclosed
US-11691967-B2 Antibiotics effective for gram-negative pathogens THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2023-07-04 US disclosed
WO-2022187329-A1 FABI INHIBITORS FOR GRAM-NEGATIVE PATHOGENS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2022-09-09 WO disclosed
WO-2019177975-A1 ANTIBIOTICS EFFECTIVE FOR GRAM-NEGATIVE PATHOGENS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2019-09-19 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 (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-11691967-B2 Antibiotics effective for gram-negative pathogens PGLS, MGAM, GMDS CSNK1D 3650/4885CSNK2A2 3006/4885CSNK2A1 3371/4885

“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.