SCHEMBL4302707

SCHEMBL4302707

CCN(C(=O)OC(C)(C)C)n1cnc2cnc3cccnc3c21

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.35
ALDH1A1 P00352 2/20 0.35
BRD4 O60885 1/20 0.34
TDP1 Q9NUW8 1/20 0.32
HTT P42858 1/20 0.31
POLB P06746 1/20 0.31
JAK1 P23458 3/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CPB2 Q96IY4 1/20 0.31
COMT P21964 1/20 0.30
SCN9A Q15858 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
SCHEMBL4305886 0.91 KMT2A (0.34) KDM4EALDH1A1BRD4POLBCPB2
Butane SCHEMBL6297560 0.72 KDM4E (0.42) KDM4EBRD4TDP1SCN9A
SCHEMBL3352920 0.70 KDM4E (0.44) KDM4EBRD4TDP1
SCHEMBL4302702 0.70 KDM4E (0.39) KDM4EALDH1A1TDP1HTTPOLB
SCHEMBL4791398 0.68 POLB (0.35) KDM4EBRD4TDP1POLB
SCHEMBL28503732 0.67 NFKB1 (0.31) KDM4EALDH1A1CPB2
SCHEMBL15273698 0.67 HTR2C (0.37) KDM4EALDH1A1BRD4TDP1POLB
SCHEMBL4305882 0.66 TLR7 (0.38) KDM4EALDH1A1TDP1HTTPOLB
SCHEMBL202924 0.66 KDM4E (0.39) KDM4EALDH1A1BRD4TDP1HTT
SCHEMBL14604067 0.66 KDM4E (0.39) KDM4EALDH1A1TDP1HTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270443-A1 1-AMINO IMIDAZO-CONTAINING COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. 2009-10-29 US disclosed
WO-2006026760-A2 1-AMINO IMIDAZO-CONTAINING COMPOUNDS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-09 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-20090270443-A1 1-AMINO IMIDAZO-CONTAINING COMPOUNDS AND METHODS IL2, IL4I1, IFNG KDM4E 3088/4885ALDH1A1 821/4885BRD4 183/4885

“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.