SCHEMBL4944871

SCHEMBL4944871

N#Cc1cccc(C2=CN(CSc3nnc(-c4ccncc4)n3C3CC3)NO2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
ALPL P05186 1/20 0.43
ALPI P09923 1/20 0.43
TSHR P16473 2/20 0.42
CYP3A4 P08684 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALOX12 P18054 1/20 0.38
GSK3A P49840 2/20 0.37
GSK3B P49841 2/20 0.37
AURKA O14965 1/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL4940455 0.86 ALOX12 (0.53) GAATSHRL3MBTL1MEN1KMT2A
SCHEMBL4945240 0.86 GAA (0.42) GAAALPLALPITSHRCYP3A4
SCHEMBL4946013 0.82 GAA (0.35) GAAALPLALPITSHRCYP3A4
SCHEMBL4941138 0.78 ALOX12 (0.52) GAATSHRL3MBTL1ALOX12DRD2
SCHEMBL4946156 0.78 GAA (0.46) GAAALPLALPITSHRCYP3A4
SCHEMBL1544396 0.77 MEN1 (0.61) GAAALPLALPITSHRCYP3A4
SCHEMBL1543676 0.77 CYP3A4 (0.70) GAAALPLALPITSHRCYP3A4
SCHEMBL4947630 0.75 ALOX12 (0.48) GAATSHRL3MBTL1MEN1KMT2A
SCHEMBL4946824 0.75 ALOX12 (0.51) MEN1KMT2AALOX12DRD2DRD3
SCHEMBL4945592 0.75 TSHR (0.45) GAATSHRCYP3A4TDP1KMT2A

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-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-02-21 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 (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-20080045571-A1 ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS GRM5, GRIK5, GRM2 GAA 1542/4885ALPL 4814/4885ALPI 4230/4885

“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.