SCHEMBL3523517

SCHEMBL3523517

NS(=O)(=O)c1ccc(Nc2nccc(-c3ccc(F)c(C(F)(F)F)c3)n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 12/20 0.65
DKK1 O94907 2/20 0.65
GSK3B P49841 2/20 0.65
MAPK8 P45983 1/20 0.60
MAPK10 P53779 1/20 0.60
CDK2 P24941 3/20 0.59
CDK4 P11802 2/20 0.59
SYK P43405 1/20 0.54
JAK2 O60674 1/20 0.54
SMG1 Q96Q15 1/20 0.54
CCNT1 O60563 1/20 0.54
CDK1 P06493 1/20 0.54
CCNB1 P14635 1/20 0.54
CCNA2 P20248 1/20 0.54
CDK7 P50613 1/20 0.54
CDK9 P50750 1/20 0.54
CCNH P51946 1/20 0.54
CCNA1 P78396 1/20 0.54
CHUK O15111 1/20 0.53
CCNE1 P24864 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
SCHEMBL3518391 0.88 IKBKB (0.72) IKBKBDKK1GSK3BMAPK8MAPK10
SCHEMBL3518043 0.83 IKBKB (0.74) IKBKBDKK1GSK3BMAPK8MAPK10
SCHEMBL3521072 0.80 IKBKB (0.74) IKBKBDKK1GSK3BMAPK8MAPK10
SCHEMBL3516622 0.79 IKBKB (1.00) IKBKBDKK1GSK3BMAPK8MAPK10
SCHEMBL4151857 0.79 DKK1 (1.00) IKBKBDKK1GSK3BMAPK8MAPK10
SCHEMBL3519764 0.78 IKBKB (0.97) IKBKBDKK1GSK3BMAPK8MAPK10
SCHEMBL3518914 0.78 IKBKB (0.74) IKBKBDKK1GSK3BMAPK8MAPK10
SCHEMBL3522201 0.77 IKBKB (0.69) IKBKBDKK1GSK3BMAPK8MAPK10
SCHEMBL3518049 0.77 IKBKB (0.79) IKBKBDKK1GSK3BMAPK8MAPK10
SCHEMBL3520622 0.77 IKBKB (0.79) 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 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.