SCHEMBL3518914

SCHEMBL3518914

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

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 11/20 0.74
PLK1 P53350 1/20 0.73
DKK1 O94907 2/20 0.70
GSK3B P49841 2/20 0.70
SMG1 Q96Q15 2/20 0.63
MTOR P42345 1/20 0.63
MAPK8 P45983 1/20 0.61
MAPK10 P53779 1/20 0.61
CAMK2D Q13557 2/20 0.61
ABL1 P00519 1/20 0.59
BCR P11274 1/20 0.59
PRKCA P17252 1/20 0.59
PRKCD Q05655 1/20 0.59
JAK2 O60674 1/20 0.55

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
SCHEMBL3520123 0.86 IKBKB (0.74) IKBKBPLK1DKK1GSK3BSMG1
SCHEMBL3521072 0.86 IKBKB (0.74) IKBKBDKK1GSK3BSMG1MTOR
SCHEMBL3516622 0.85 IKBKB (1.00) IKBKBDKK1GSK3BMAPK8MAPK10
SCHEMBL3519939 0.85 IKBKB (1.00) IKBKBDKK1GSK3BMAPK8MAPK10
SCHEMBL4732841 0.85 PLK1 (1.00) IKBKBPLK1GSK3BSMG1CAMK2D
SCHEMBL3519764 0.84 IKBKB (0.97) IKBKBDKK1GSK3BMAPK8MAPK10
SCHEMBL7470673 0.83 IKBKB (0.81) IKBKBDKK1GSK3BMAPK8MAPK10
SCHEMBL14651462 0.82 PLK1 (0.84) PLK1GSK3BSMG1MTORMAPK8
SCHEMBL3518391 0.82 IKBKB (0.72) IKBKBDKK1GSK3BSMG1MAPK8
SCHEMBL4151857 0.82 DKK1 (1.00) IKBKBDKK1GSK3BSMG1MTOR

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 3246/4885PLK1 483/4885DKK1 2975/4885

“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.