SCHEMBL6934550

SCHEMBL6934550

Nc1nc2ccccc2nc1C#Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
KDM4E B2RXH2 4/20 0.52
ALDH1A1 P00352 4/20 0.52
HPGD P15428 4/20 0.52
HSD17B10 Q99714 3/20 0.52
GAA P10253 1/20 0.52
PLAU P00749 1/20 0.50
DHFR P00374 1/20 0.49
ADORA2A P29274 1/20 0.47
APP P05067 1/20 0.46
GRM4 Q14833 1/20 0.43
MEN1 O00255 3/20 0.42
NPC1 O15118 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
ADK P55263 1/20 0.42

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
SCHEMBL29424973 0.74 MAPT (0.58) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1128621 0.74 MAPT (0.58) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL15958624 0.73 GRM5 (0.48) KDM4EALDH1A1HPGDADORA2AAPP
SCHEMBL557769 0.73 GRM4 (0.44) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL27158469 0.72 ADK (0.48) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL29913169 0.72 ADK (0.48) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL27158140 0.72 GRM5 (0.49) MAPTKDM4EALDH1A1HPGDPLAU
SCHEMBL27158029 0.72 ADK (0.48) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL29444102 0.71 MAPT (1.00) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL503252 0.71 MAPT (1.00) MAPTKDM4EALDH1A1HPGDHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030207886-A1 Preparation containing quinoxaline derivatives MERCK PATENT GMBH (DE) 2003-11-06 US disclosed
EP-1267819-A2 PREPARATION CONTAINING QUINOXALINE DERIVATIVES MERCK PATENT GmbH (DE) 2003-01-02 EP disclosed
WO-2001068047-A2 PREPARATION CONTAINING QUINOXALINE DERIVATIVES MERCK PATENT GMBH (DE) 2001-09-20 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-20030207886-A1 Preparation containing quinoxaline derivatives CUTA, XPA, NQO2 MAPT 2455/4885KDM4E 467/4885ALDH1A1 1898/4885

“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.