SCHEMBL6035358

SCHEMBL6035358

CN(C)Cc1ccncc1NC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
GSK3B P49841 1/20 0.42
KDM4C Q9H3R0 10/20 0.41
KDM6B O15054 4/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
AOC1 P19801 2/20 0.39
AOC3 Q16853 2/20 0.39
ROCK1 Q13464 1/20 0.39
KDM4D Q6B0I6 2/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
SLC6A3 Q01959 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
SCHEMBL6034950 0.80 CYP17A1 (0.44) CCNE2CCNE1CDK2GSK3B
SCHEMBL6604919 0.80 CYP17A1 (0.38) CCNE2CCNE1CDK2GSK3BSLC6A2
SCHEMBL6034958 0.78 KDM4C (0.40) KDM4CKDM6BAOC1AOC3KDM4D
SCHEMBL13178917 0.75 KDM4C (0.40) KDM4CKDM6BAOC1AOC3ROCK1
SCHEMBL12344041 0.74 SLC6A4 (0.54) SLC6A2SLC6A4CHRNB2CHRNA4SLC6A3
SCHEMBL30600744 0.74 KDM4C (0.50) GSK3BKDM4CKDM6BKDM4D
SCHEMBL2033252 0.74 KDM4C (0.50) GSK3BKDM4CKDM6BKDM4D
SCHEMBL6035375 0.74 GSK3B (0.60) CCNE2CCNE1CDK2GSK3B
SCHEMBL20732522 0.73 KDM4C (0.44) KDM4CKDM6BAOC1AOC3
SCHEMBL6034096 0.73 CYP2A6 (0.44) GSK3BKDM4CKDM6BROCK1KDM4D

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 6 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
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
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 CCNE2 438/4885CCNE1 386/4885CDK2 118/4885

“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.