SCHEMBL20550869

SCHEMBL20550869

CCCn1nc(COC)c(C#N)c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.38
ALDH1A1 P00352 8/20 0.37
LMNA P02545 4/20 0.37
KDM4E B2RXH2 6/20 0.36
HPGD P15428 5/20 0.36
MAPK1 P28482 2/20 0.36
MAPT P10636 7/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.33
GLA P06280 2/20 0.33
NR1I2 O75469 1/20 0.32
AHR P35869 1/20 0.32
HSD17B10 Q99714 3/20 0.31
GRK6 P43250 1/20 0.31

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
SCHEMBL20552007 0.81 GAA (0.40) GAAALDH1A1LMNAKDM4EHPGD
SCHEMBL20551518 0.78 ALDH1A1 (0.34) GAAALDH1A1LMNAKDM4EHPGD
SCHEMBL11546474 0.77 TSHR (0.40) GAAALDH1A1LMNAKDM4EHPGD
SCHEMBL6194624 0.77 GAA (0.36) GAAALDH1A1LMNAKDM4EMAPK1
SCHEMBL20550982 0.76 PDE8B (0.36) GAAALDH1A1LMNAKDM4EHPGD
SCHEMBL7352542 0.76 TSHR (0.56) GAAALDH1A1LMNAKDM4EHPGD
SCHEMBL6196159 0.74 TSHR (0.52) GAAALDH1A1LMNAKDM4EHPGD
SCHEMBL6195848 0.72 PIK3CG (0.37) GAAALDH1A1LMNAKDM4EHPGD
SCHEMBL20551843 0.72 KDM4E (0.35) GAAALDH1A1LMNAKDM4EHPGD
SCHEMBL20551302 0.72 MAPK1 (0.33) GAAALDH1A1LMNAKDM4EHPGD

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-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2020-08-06 US disclosed
CN-110914263-A Substituted bicyclic heterocyclic compounds as NADPH oxidase inhibitors 格兰马克药品股份有限公司 2020-03-24 CN disclosed
EP-3619209-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS Glenmark Pharmaceuticals S.A. (CH) 2020-03-11 EP disclosed
WO-2018203298-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2018-11-08 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-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS NOX1, CYBB, NOX4 GAA 335/4885ALDH1A1 467/4885LMNA 3874/4885

“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.