SCHEMBL6791190

SCHEMBL6791190

CN1CCc2c(Br)cc(N)c(N)c2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
CYP2C19 P33261 2/20 0.37
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
ADORA1 P30542 1/20 0.33
RAD52 P43351 1/20 0.33
MEN1 O00255 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
MAOA P21397 3/20 0.32
MAOB P27338 3/20 0.32
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32

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
SCHEMBL6783643 0.93 ADRA2A (0.37) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6783159 0.85 POLB (0.32) MAPT
SCHEMBL14287204 0.82 ALDH1A1 (0.40) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6785526 0.79 GRIA1 (0.48) ALDH1A1MAPT
SCHEMBL3023510 0.77 ADRA2A (0.44) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL20214765 0.76 MAOA (0.40) CYP2C19MAPTMAOAMAOBDRD2
SCHEMBL6790181 0.73 PNMT (0.40) ALDH1A1DRD2
SCHEMBL24040089 0.72 MAOA (0.40) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL29557955 0.72 MAOA (0.40) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6784530 0.72 PNMT (0.38) KDM4EALDH1A1MAPTRAD52MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030114422-A1 NOVEL QUINOXALINEDIONE DERIVATIVES, THEIR PREPARATION AND USE NEUROSEARCH A/S (DK) 2003-06-19 US claimed
EP-0664807-B1 QUINOXALINEDIONE DERIVATIVES AS EAA ANTAGONISTS WARNER LAMBERT CO (US) 1997-09-10 EP claimed
EP-0664807-A1 QUINOXALINEDIONE DERIVATIVES AS EAA ANTAGONISTS. WARNER LAMBERT CO (US) 1995-08-02 EP claimed
WO-1994009000-A1 QUINOXALINEDIONE DERIVATIVES AS EAA ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1994-04-28 WO claimed
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 ADRA2A 282/4885ADRA2B 185/4885ADRA2C 186/4885

“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.