SCHEMBL6035134

SCHEMBL6035134

CN(C)Cc1ccncc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AOC1 P19801 4/20 0.59
▸ AOC3 Q16853 4/20 0.59
▸ CHRNB2 P17787 1/20 0.46
▸ CHRNA4 P43681 1/20 0.46
▸ SLC6A4 P31645 8/20 0.42
▸ CYP2A6 P11509 1/20 0.41
▸ SLC6A2 P23975 6/20 0.41
▸ SLC6A3 Q01959 5/20 0.41
▸ LOXL2 Q9Y4K0 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KDM6B O15054 1/20 0.37
▸ KDM4A O75164 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ KDM4D Q6B0I6 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37

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
Trifluoroacetic Acid SCHEMBL6595462 0.84 AOC1 (0.44) AOC1AOC3CHRNB2CHRNA4SLC6A4
SCHEMBL5748797 0.79 — —
SCHEMBL30210557 0.79 — —
SCHEMBL6034703 0.78 AOC1 (0.52) AOC1AOC3SLC6A4ALDH1A1MAPT
SCHEMBL16272259 0.78 AOC1 (0.47) AOC1AOC3CHRNB2CHRNA4CYP2A6
SCHEMBL18230006 0.78 SLC6A4 (0.50) AOC1AOC3CHRNB2CHRNA4SLC6A4
SCHEMBL13285102 0.78 SLC6A4 (0.48) CHRNB2CHRNA4SLC6A4CYP2A6SLC6A2
Ammonia Solution, Strong SCHEMBL3984283 0.77 AOC1 (0.65) AOC1AOC3CYP2A6LOXL2GAA
SCHEMBL14875554 0.77 AOC1 (0.46) AOC1AOC3CHRNB2CHRNA4GAA
SCHEMBL937666 0.76 LOXL2 (0.57) CHRNB2CHRNA4SLC6A4CYP2A6SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 ASTRAZENECA (SE) 2006-03-09 — — US claimed
CN-1551869-A Novel compound — 2004-12-01 — — CN claimed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 — — EP claimed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 — — WO claimed
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 ASTRAZENECA (SE) 2006-03-09 — — US disclosed
CN-1551869-A Novel compound — 2004-12-01 — — CN disclosed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 — — EP disclosed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 — — 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-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 GSK3A, GSK3B, PYGL AOC1 4623/4885AOC3 3008/4885CHRNB2 675/4885

“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.

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