SCHEMBL22900720

SCHEMBL22900720

CC(C)c1cnc2c(c1)CC(N)C(=O)N2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.36
SMYD3 Q9H7B4 1/20 0.33
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31
PIK3CG P48736 1/20 0.31
MB P02144 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30
CHEK1 O14757 1/20 0.30
AURKA O14965 1/20 0.30
DAPK3 O43293 1/20 0.30
PRKD3 O94806 1/20 0.30
MAP4K4 O95819 1/20 0.30
ABL1 P00519 1/20 0.30
NTRK1 P04629 1/20 0.30
CSF1R P07333 1/20 0.30
RET P07949 1/20 0.30
MET P08581 1/20 0.30
PDGFRB P09619 1/20 0.30
PIM1 P11309 1/20 0.30

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
SCHEMBL24722620 0.86 DDB1 (0.35) NNMTSMYD3DDB1CRBNPIK3CG
SCHEMBL14050975 0.84 NNMT (0.37) NNMTSMYD3DDB1CRBNPIK3CG
SCHEMBL22900729 0.82 NNMT (0.34) NNMT
SCHEMBL21366374 0.81 NNMT (0.33) NNMT
SCHEMBL4569786 0.74 ABL1 (0.54) SMYD3CRBNPIK3CGMBCHEK1
SCHEMBL24722730 0.73 PIK3CG (0.31) SMYD3PIK3CG
SCHEMBL10257902 0.73 CRBN (0.48) CRBNCHEK1AURKADAPK3PRKD3
SCHEMBL24408273 0.72 SMYD3 (0.32) SMYD3
SCHEMBL16941460 0.72 KDM4E (0.33) CRBNPIK3CG
SCHEMBL16941450 0.71 MB (0.38) SMYD3CRBNPIK3CGMBCHEK1

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
US-20210017165-A1 ANTIBIOTICS EFFECTIVE FOR GRAM-NEGATIVE PATHOGENS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-01-21 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-20210017165-A1 ANTIBIOTICS EFFECTIVE FOR GRAM-NEGATIVE PATHOGENS PGLS, MGAM, GMDS NNMT 3971/4885SMYD3 3413/4885DDB1 1271/4885
US-11691967-B2 Antibiotics effective for gram-negative pathogens PGLS, MGAM, GMDS NNMT 3971/4885SMYD3 3413/4885DDB1 1271/4885

“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.