SCHEMBL3520003

SCHEMBL3520003

CN(C)CCNS(=O)(=O)c1ccc(Nc2nccc(-c3ccc([N+](=O)[O-])cc3)n2)cc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 8/20 0.69
PIK3CA P42336 4/20 0.62
PIK3CB P42338 4/20 0.62
PIK3CG P48736 4/20 0.62
CDK2 P24941 4/20 0.61
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
CDK1 P06493 1/20 0.58
CDK4 P11802 1/20 0.58
CHUK O15111 2/20 0.56
PLK1 P53350 1/20 0.53
NEK1 Q96PY6 1/20 0.48

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
SCHEMBL3518539 0.94 IKBKB (0.70) IKBKBPIK3CAPIK3CBPIK3CGCDK2
SCHEMBL3520859 0.88 IKBKB (0.76) IKBKBPIK3CAPIK3CBPIK3CGCDK2
SCHEMBL3521241 0.88 IKBKB (0.74) IKBKBCDK2CDK1CDK4CHUK
SCHEMBL3516492 0.87 IKBKB (0.72) IKBKBPIK3CAPIK3CBPIK3CGCDK2
SCHEMBL3520100 0.87 IKBKB (0.77) IKBKBCDK2CDK1CDK4CHUK
SCHEMBL3520093 0.87 IKBKB (0.72) IKBKBCDK2CDK1CDK4CHUK
SCHEMBL3522686 0.87 IKBKB (0.72) IKBKBPIK3CAPIK3CBPIK3CGCDK2
SCHEMBL3520086 0.86 PIK3CA (0.62) IKBKBPIK3CAPIK3CBPIK3CGCDK2
SCHEMBL3520009 0.86 IKBKB (0.68) IKBKBPIK3CAPIK3CBPIK3CGCDK2
SCHEMBL3522392 0.85 IKBKB (0.70) IKBKBPIK3CAPIK3CBPIK3CGCDK2

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 3246/4885PIK3CA 506/4885PIK3CB 1605/4885

“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.