SCHEMBL21062029

SCHEMBL21062029

CN(c1nc2ncc(C(=O)O)cc2s1)C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.34
MITF O75030 1/20 0.34
TP53 P04637 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LCK P06239 1/20 0.34
JAK3 P52333 1/20 0.34
PTGDR2 Q9Y5Y4 6/20 0.34
AADAT Q8N5Z0 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
MGAM O43451 1/20 0.33

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
SCHEMBL21096528 0.87 KDM4E (0.34) KDM4EALDH1A1ALOX15HSD17B10NPC1
SCHEMBL21061982 0.83 CYP2C9 (0.38) KDM4EALDH1A1NPC1TP53RAB9A
SCHEMBL21061812 0.79 KDM4E (0.37) KDM4EALDH1A1ALOX15HSD17B10NPC1
SCHEMBL21074852 0.79 HRH3 (0.43) NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL21061824 0.78 HPGDS (0.56)
SCHEMBL21061888 0.77 KDM4E (0.35) KDM4EALDH1A1ALOX15HSD17B10NPC1
SCHEMBL21096665 0.74 MCHR1 (0.36) KDM4EALDH1A1ALOX15HSD17B10SMN1; SMN2
SCHEMBL21061858 0.74 AADAT (0.39) KDM4EALDH1A1NPC1MITFTP53
SCHEMBL20031275 0.73 NPC1 (0.53) KDM4EALDH1A1ALOX15HSD17B10NPC1
SCHEMBL21074837 0.72 AADAT (0.40) KDM4EALDH1A1NPC1MITFTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210139507-A1 FUSED PYRIDINES WHICH ACT AS INHIBITORS OF H PGDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-05-13 US disclosed
US-20210139507-A1 FUSED PYRIDINES WHICH ACT AS INHIBITORS OF H PGDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-05-13 US disclosed
EP-3724197-A1 FUSED PYRIDINES WHICH ACT AS INHIBITORS OF H-PGDS GlaxoSmithKline Intellectual Property Development Ltd (GB) 2020-10-21 EP disclosed
WO-2019116256-A1 FUSED PYRIDINES WHICH ACT AS INHIBITORS OF H-PGDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-06-20 WO disclosed
WO-2019116256-A1 FUSED PYRIDINES WHICH ACT AS INHIBITORS OF H-PGDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-06-20 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-20210139507-A1 FUSED PYRIDINES WHICH ACT AS INHIBITORS OF H PGDS HPGDS, HPGD, PTGS1 KDM4E 1742/4885ALDH1A1 548/4885ALOX15 178/4885

“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.