SCHEMBL3524407

SCHEMBL3524407

COc1ccc(-c2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)cc1S(N)(=O)=O

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 14/20 0.71
▸ DKK1 O94907 2/20 0.65
▸ GSK3B P49841 2/20 0.65
▸ MAPK8 P45983 1/20 0.63
▸ MAPK10 P53779 1/20 0.63
▸ ENPP3 O14638 1/20 0.55
▸ JAK2 O60674 1/20 0.54
▸ SMG1 Q96Q15 1/20 0.54
▸ MEN1 O00255 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ CHUK O15111 1/20 0.53

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
SCHEMBL14253957 0.89 IKBKB (0.71) IKBKBDKK1GSK3BMAPK8MAPK10
SCHEMBL3521925 0.89 IKBKB (0.71) IKBKBDKK1GSK3BMAPK8MAPK10
SCHEMBL12275706 0.86 IKBKB (0.66) IKBKBDKK1GSK3BMAPK8MAPK10
SCHEMBL14253942 0.86 IKBKB (0.66) IKBKBDKK1GSK3BMAPK8MAPK10
SCHEMBL3522733 0.85 IKBKB (0.71) IKBKBDKK1GSK3BMAPK8MAPK10
SCHEMBL3517468 0.84 IKBKB (0.56) IKBKBDKK1GSK3BMAPK8MAPK10
SCHEMBL3520678 0.83 IKBKB (1.00) IKBKBDKK1GSK3BMAPK8MAPK10
SCHEMBL3521823 0.80 IKBKB (0.66) IKBKBDKK1GSK3B
SCHEMBL4029393 0.80 IKBKB (0.58) IKBKBDKK1GSK3BMAPK8MAPK10
SCHEMBL3519210 0.80 MTOR (0.59) IKBKBDKK1GSK3BMAPK8MAPK10

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 2 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

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.

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