SCHEMBL25837814

SCHEMBL25837814

CCc1cn(-c2ncc(CNC(=O)OC(C)(C)C)cn2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
NAMPT P43490 3/20 0.38
BRD4 O60885 2/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
MAPKAPK2 P49137 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.35
DYRK1A Q13627 1/20 0.35
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
RECQL P46063 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
AKT1 P31749 1/20 0.35
NSD2 O96028 1/20 0.34

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
SCHEMBL21366234 0.86 NAMPT (0.37) L3MBTL1NAMPTBRD4CA12CA1
SCHEMBL22900760 0.83 L3MBTL1 (0.39) L3MBTL1NAMPTBRD4CA12CA1
SCHEMBL25837854 0.81 CA1 (0.39) L3MBTL1NAMPTBRD4CA12CA1
SCHEMBL22900853 0.80 ALDH1A1 (0.41) NAMPTCA1CA2LMNACYP3A4
SCHEMBL25837813 0.78 HTR2C (0.37)
SCHEMBL22900858 0.76 HTT (0.36) NAMPTCA1CA2LMNAMAPT
SCHEMBL1585183 0.73 STK17B (0.52) L3MBTL1NAMPTMAPKAPK2KDM4ELMNA
SCHEMBL22900856 0.72 NAMPT (0.38) NAMPTCA1CA2LMNACYP3A4
SCHEMBL1568982 0.72 CPB2 (0.41) CA12CA1CA2CA9TDP1
SCHEMBL16829208 0.72 L3MBTL1 (0.48) L3MBTL1NAMPTBRD4CA1CA2

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 1 patent. 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

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 L3MBTL1 305/4885NAMPT 752/4885BRD4 302/4885

“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.