SCHEMBL21061982

SCHEMBL21061982

CCOC(=O)c1cnc2nc(N(C)C3CC3)sc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
PDE4B Q07343 1/20 0.37
STAT1 P42224 1/20 0.37
PCSK9 Q8NBP7 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 2/20 0.36
MAOB P27338 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALPL P05186 1/20 0.35
GAA P10253 1/20 0.35
JAK3 P52333 2/20 0.35
NR1H4 Q96RI1 1/20 0.35
P2RY12 Q9H244 2/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL21062027 0.90 CYP2C9 (0.39) CYP2C9CYP2C19NPC1RAB9ASMN1; SMN2
SCHEMBL21062029 0.83 KDM4E (0.36) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL21061848 0.82 ALDH1A1 (0.40) CYP2C9CYP2C19NPC1RAB9ASMN1; SMN2
SCHEMBL21062045 0.81 SMN1; SMN2 (0.42) CYP2C9CYP2C19NPC1RAB9ASMN1; SMN2
SCHEMBL21096506 0.78 CYP2C9 (0.47) CYP2C9CYP2C19NPC1RAB9ASMN1; SMN2
SCHEMBL17901838 0.76 ALDH1A1 (0.50) CYP2C9CYP2C19NPC1RAB9ASMN1; SMN2
SCHEMBL14859368 0.75 CYP2C9 (0.43) CYP2C9CYP2C19NPC1RAB9ASMN1; SMN2
Potassium Ion SCHEMBL14859369 0.75 CYP2C9 (0.43) CYP2C9CYP2C19NPC1RAB9ASMN1; SMN2
Potassium SCHEMBL14859370 0.75 CYP2C9 (0.43) CYP2C9CYP2C19NPC1RAB9ASMN1; SMN2
SCHEMBL21074850 0.74 NPC1 (0.49) CYP2C9CYP2C19NPC1RAB9ASMN1; SMN2

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 CYP2C9 551/4885CYP2C19 270/4885NPC1 3749/4885

“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.