SCHEMBL21062045

SCHEMBL21062045

CCOC(=O)c1cnc2nc(N(C(C)C)C(C)C)sc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
STAT1 P42224 1/20 0.39
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
MAOB P27338 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALPL P05186 1/20 0.37
GAA P10253 1/20 0.37
PCSK9 Q8NBP7 1/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
ACP1 P24666 1/20 0.36
SLC2A1 P11166 1/20 0.36
GABRP O00591 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
SCHEMBL21061848 0.82 ALDH1A1 (0.40) SMN1; SMN2NPC1RAB9AALDH1A1CYP2C9
SCHEMBL21061888 0.82 KDM4E (0.35) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL21062027 0.81 CYP2C9 (0.39) SMN1; SMN2NPC1RAB9AALDH1A1CYP2C9
SCHEMBL21096506 0.81 CYP2C9 (0.47) SMN1; SMN2NPC1RAB9AALDH1A1CYP2C9
SCHEMBL21061982 0.81 CYP2C9 (0.38) SMN1; SMN2NPC1RAB9AALDH1A1CYP2C9
SCHEMBL17901838 0.79 ALDH1A1 (0.50) SMN1; SMN2NPC1RAB9AALDH1A1CYP2C9
SCHEMBL2271967 0.79 NPC1 (0.49) SMN1; SMN2NPC1RAB9AALDH1A1CYP2C9
Potassium Ion SCHEMBL14859369 0.78 CYP2C9 (0.43) SMN1; SMN2NPC1RAB9AALDH1A1CYP2C9
SCHEMBL14859368 0.78 CYP2C9 (0.43) SMN1; SMN2NPC1RAB9AALDH1A1CYP2C9
Potassium SCHEMBL14859370 0.78 CYP2C9 (0.43) SMN1; SMN2NPC1RAB9AALDH1A1CYP2C9

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 SMN1; SMN2 232/4885NPC1 3749/4885RAB9A 3439/4885

“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.