SCHEMBL20552007

SCHEMBL20552007

COCc1nn(C)c(N)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.40
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 5/20 0.40
HPGD P15428 5/20 0.40
LMNA P02545 4/20 0.39
MAPK1 P28482 1/20 0.39
MAPT P10636 6/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
APOBEC3G Q9HC16 2/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GLA P06280 1/20 0.35
HSD17B10 Q99714 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 2/20 0.32
TSHR P16473 1/20 0.32
LRRK2 Q5S007 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
SCHEMBL20550869 0.81 GAA (0.38) GAAKDM4EALDH1A1HPGDLMNA
SCHEMBL31194569 0.80 GAA (0.55) GAAKDM4EALDH1A1HPGDLMNA
SCHEMBL8694634 0.79 GAA (0.40) GAAKDM4EALDH1A1HPGDLMNA
SCHEMBL2073225 0.79 MAPT (0.55) GAAKDM4EALDH1A1LMNAMAPK1
SCHEMBL31194464 0.77 MAPK1 (0.49) GAAKDM4EALDH1A1HPGDLMNA
SCHEMBL20551843 0.76 KDM4E (0.35) GAAKDM4EALDH1A1HPGDLMNA
SCHEMBL798 0.76 KDM4E (0.36) GAAKDM4EALDH1A1HPGDLMNA
SCHEMBL31194507 0.75 GAA (0.40) GAAKDM4EALDH1A1HPGDLMNA
SCHEMBL20551518 0.72 ALDH1A1 (0.34) GAAKDM4EALDH1A1HPGDLMNA
SCHEMBL11543788 0.71 LMNA (0.41) GAAKDM4EALDH1A1LMNAMAPK1

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 335/4885KDM4E 4117/4885ALDH1A1 467/4885

“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.