SCHEMBL6780467

SCHEMBL6780467

Nc1ccc2c(c1N)CCCN2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.45
GRIA2 P42262 1/20 0.45
GRIA3 P42263 1/20 0.45
GRIA4 P48058 1/20 0.45
BCHE P06276 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
NOTUM Q6P988 1/20 0.37
NUDT1 P36639 1/20 0.36
KDM4E B2RXH2 3/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.33
TP53 P04637 2/20 0.33
GAA P10253 2/20 0.33
ALOX15 P16050 2/20 0.33
HTT P42858 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 2/20 0.33

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
SCHEMBL4929162 0.80 GRIA1 (0.55) GRIA1GRIA2GRIA3GRIA4BCHE
SCHEMBL5816157 0.78 GRIA1 (0.41) GRIA1GRIA2GRIA3GRIA4BCHE
SCHEMBL29805885 0.76 NUDT1 (0.46) GRIA1GRIA2GRIA3GRIA4BCHE
SCHEMBL2269074 0.76 NUDT1 (0.46) GRIA1GRIA2GRIA3GRIA4BCHE
SCHEMBL6783794 0.74 GRIA1 (0.41) GRIA1GRIA2GRIA3GRIA4BCHE
SCHEMBL14899790 0.73 GRIA1 (0.37) GRIA1GRIA2GRIA3GRIA4BCHE
SCHEMBL14080970 0.73 GRIA1 (0.40) GRIA1GRIA2GRIA3GRIA4BCHE
SCHEMBL21187595 0.69 GRIA1 (0.46) GRIA1GRIA2GRIA3GRIA4CA12
SCHEMBL4510825 0.69 GRIA1 (0.46) GRIA1GRIA2GRIA3GRIA4CA12
SCHEMBL9267430 0.69 PARP1 (0.42) GRIA1GRIA2GRIA3GRIA4BCHE

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-6703391-B2 THROMBOSIS, BRAIN DISORDERS, CARDIOVASCULAR DISORDERS, ALZHEIMER'S DISEASE, HUNTINGTON DISEASES NEUROSEARCH A/S (DK) 2004-03-09 US disclosed
US-20030114422-A1 NOVEL QUINOXALINEDIONE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2003-06-19 US disclosed
EP-0664807-B1 QUINOXALINEDIONE DERIVATIVES AS EAA ANTAGONISTS WARNER LAMBERT CO (US) 1997-09-10 EP disclosed
EP-0664807-A1 QUINOXALINEDIONE DERIVATIVES AS EAA ANTAGONISTS. WARNER LAMBERT CO (US) 1995-08-02 EP disclosed
WO-1994009000-A1 QUINOXALINEDIONE DERIVATIVES AS EAA ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1994-04-28 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-20030114422-A1 NOVEL QUINOXALINEDIONE DERIVATIVES, THEIR PREPARATION AND USE CHRNA3, CHRNA7, CHRNB3 GRIA1 41/4885GRIA2 25/4885GRIA3 16/4885

“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.