SCHEMBL21366428

SCHEMBL21366428

CN(Cc1cnc(-n2cnc(C=O)c2)nc1)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.35
HTR2C P28335 6/20 0.35
SLC6A4 P31645 6/20 0.35
HTR2A P28223 1/20 0.32
CACNA1G O43497 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNA1C Q13936 1/20 0.32
GLS O94925 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
SCHEMBL25837813 0.83 HTR2C (0.37) CPB2HTR2CSLC6A4HTR2ACACNA1G
SCHEMBL22901061 0.83 HTR2C (0.37) CPB2HTR2CSLC6A4HTR2ACACNA1G
SCHEMBL22900754 0.79 HTR2C (0.35) CPB2HTR2CSLC6A4HTR2ACACNA1G
SCHEMBL22900760 0.79 L3MBTL1 (0.39)
SCHEMBL22900856 0.77 NAMPT (0.38) CPB2
SCHEMBL23251854 0.73 HTR2C (0.42) HTR2CSLC6A4HTR2ACACNA1GCACNA1B
SCHEMBL21528021 0.71 TAAR1 (0.43) HTR2CSLC6A4
SCHEMBL21528145 0.70 POLB (0.45) HTR2CSLC6A4
SCHEMBL1936823 0.70 HTR2C (0.40) HTR2CSLC6A4CACNA1GCACNA1BCACNA1C
SCHEMBL16629765 0.68 HTR2C (0.39) HTR2CSLC6A4HTR2ACACNA1GCACNA1B

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
US-20210017165-A1 ANTIBIOTICS EFFECTIVE FOR GRAM-NEGATIVE PATHOGENS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-01-21 US 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 (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-20210017165-A1 ANTIBIOTICS EFFECTIVE FOR GRAM-NEGATIVE PATHOGENS PGLS, MGAM, GMDS CPB2 3887/4885HTR2C 4462/4885SLC6A4 3639/4885
US-11691967-B2 Antibiotics effective for gram-negative pathogens PGLS, MGAM, GMDS CPB2 3887/4885HTR2C 4462/4885SLC6A4 3639/4885

“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.