SCHEMBL5469005

SCHEMBL5469005

COC(=O)c1cccc(-n2c(=O)[nH]c3ccccc3c2=O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.61
GAA P10253 2/20 0.61
SMN1; SMN2 Q16637 4/20 0.58
NPC1 O15118 1/20 0.58
ALDH1A1 P00352 5/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
PMM2 O15305 1/20 0.54
MPI P34949 1/20 0.54
RAB9A P51151 1/20 0.54
PHOSPHO1 Q8TCT1 1/20 0.54
KIF11 P52732 1/20 0.53
TP53 P04637 1/20 0.53
RECQL P46063 1/20 0.52
ADORA3 P0DMS8 1/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
FTO Q9C0B1 1/20 0.49
HIF1A Q16665 1/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL5461862 0.85 GAA (0.67) KDM4EGAASMN1; SMN2NPC1ALDH1A1
SCHEMBL2115751 0.84 ALDH1A1 (0.78) KDM4EGAASMN1; SMN2NPC1ALDH1A1
SCHEMBL12822200 0.81 MAT2A (0.57) GAASMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL6979777 0.81 KDM4E (0.68) KDM4EGAASMN1; SMN2NPC1ALDH1A1
SCHEMBL5469130 0.79 SMN1; SMN2 (0.50) KDM4EGAASMN1; SMN2NPC1ALDH1A1
SCHEMBL12822426 0.79 HPGD (0.60) KDM4EGAASMN1; SMN2ALDH1A1KMT2A
SCHEMBL11798445 0.79 ALDH1A1 (0.67) KDM4EGAASMN1; SMN2NPC1ALDH1A1
SCHEMBL5470706 0.77 NPSR1 (0.46) KDM4EGAASMN1; SMN2NPC1ALDH1A1
SCHEMBL6980347 0.76 KDM4E (1.00) KDM4EGAASMN1; SMN2NPC1ALDH1A1
SCHEMBL28496776 0.76 MAT2A (0.65) KDM4EGAASMN1; SMN2NPC1ALDH1A1

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-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
EP-1657238-A1 FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-17 EP 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-20070010537-A1 Fused pyramidine derivative and use thereof NR5A1, GNRHR, RXFP3 KDM4E 4108/4885GAA 3884/4885SMN1; SMN2 2437/4885

“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.