SCHEMBL21061908

SCHEMBL21061908

CNc1nc2ncc(C(=O)O)cc2s1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HCAR3 P49019 1/20 0.41
MAPT P10636 2/20 0.40
LDHA P00338 1/20 0.40
NPC1 O15118 6/20 0.39
RAB9A P51151 6/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
ABL1 P00519 3/20 0.37
MGAM O43451 1/20 0.37
PCSK9 Q8NBP7 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
APP P05067 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
SCHEMBL21062055 0.84 HCAR3 (0.46) KDM4EALDH1A1HCAR3MAPTCCNA2
SCHEMBL21074850 0.81 NPC1 (0.49) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL20031275 0.80 NPC1 (0.53) KDM4EALDH1A1MAPTLDHANPC1
SCHEMBL21061964 0.76 KDM4E (0.58) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL20489612 0.76 MGAM (0.37) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL4746038 0.74 LDHA (0.61) KDM4EALDH1A1MAPTLDHANPC1
SCHEMBL21061888 0.72 KDM4E (0.35) KDM4EALDH1A1HCAR3MAPTNPC1
SCHEMBL13394217 0.72 AADAT (0.37) LDHANPC1RAB9AABL1SMN1; SMN2
SCHEMBL21061858 0.72 AADAT (0.39) KDM4EALDH1A1HCAR3MAPTNPC1
SCHEMBL21264224 0.72 GAA (0.48) KDM4EALDH1A1MAPTLDHANPC1

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-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

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 548/4885HCAR3 623/4885

“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.