SCHEMBL4749060

SCHEMBL4749060

CN(N=Cc1ccc(CNc2ncccn2)cc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.45
KMT2A Q03164 7/20 0.45
MAPT P10636 6/20 0.45
NPC1 O15118 5/20 0.45
RAB9A P51151 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
ALDH1A1 P00352 3/20 0.45
ALOX12 P18054 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GAA P10253 2/20 0.44
HPGD P15428 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
MCL1 Q07820 1/20 0.42
G6PC1 P35575 1/20 0.41

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
SCHEMBL4749054 1.00 MEN1 (0.45) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL4885008 0.82 MEN1 (0.50) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL4748290 0.82 MEN1 (0.50) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL9497879 0.81 MEN1 (0.44) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL13879231 0.77 MEN1 (0.53) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL14005045 0.76 G6PC1 (0.49) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL8494529 0.74 MAPT (0.57) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL8494526 0.74 MAPT (0.57) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL1131506 0.74 MAPT (0.56) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL1131502 0.74 MAPT (0.56) MEN1KMT2AMAPTNPC1RAB9A

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-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
WO-2008112156-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2008-09-18 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-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 MEN1 3669/4885KMT2A 4463/4885MAPT 4253/4885

“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.