SCHEMBL3520123

SCHEMBL3520123

NS(=O)(=O)c1ccc(Nc2nccc(-c3cccc(O)c3)n2)cc1

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 13/20 0.74
DKK1 O94907 2/20 0.70
GSK3B P49841 2/20 0.70
SMG1 Q96Q15 2/20 0.66
MTOR P42345 1/20 0.66
PLK1 P53350 3/20 0.62
MAPK8 P45983 1/20 0.61
MAPK10 P53779 1/20 0.61

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
SCHEMBL3518914 0.86 IKBKB (0.74) IKBKBDKK1GSK3BSMG1MTOR
SCHEMBL3521072 0.86 IKBKB (0.74) IKBKBDKK1GSK3BSMG1MTOR
SCHEMBL3519410 0.85 IKBKB (0.79) IKBKBDKK1GSK3BMAPK8MAPK10
SCHEMBL3519939 0.85 IKBKB (1.00) IKBKBDKK1GSK3BMAPK8MAPK10
SCHEMBL4786087 0.85 PLK1 (0.78) IKBKBPLK1MAPK8MAPK10
SCHEMBL3519764 0.84 IKBKB (0.97) IKBKBDKK1GSK3BMAPK8MAPK10
SCHEMBL7470673 0.83 IKBKB (0.81) IKBKBDKK1GSK3BMAPK8MAPK10
SCHEMBL27116530 0.82 PLK1 (0.68) GSK3BPLK1MAPK8MAPK10
SCHEMBL4151857 0.82 DKK1 (1.00) IKBKBDKK1GSK3BSMG1MTOR
SCHEMBL4737537 0.81 SYK (0.67) GSK3BPLK1MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799915-B2 Anilino-pyrimidine analogs WYETH LLC (US) 2010-09-21 US claimed
US-20060079543-A1 Anilino-pyrimidine analogs WYETH (US) 2006-04-13 US claimed
US-7799915-B2 Anilino-pyrimidine analogs WYETH LLC (US) 2010-09-21 US disclosed
US-20060079543-A1 Anilino-pyrimidine analogs WYETH (US) 2006-04-13 US 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-20060079543-A1 Anilino-pyrimidine analogs DPYD, TYMP, ADORA3 IKBKB 3246/4885DKK1 2975/4885GSK3B 2108/4885

“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.