SCHEMBL3518170

SCHEMBL3518170

CN(C)CCCNS(=O)(=O)c1cccc(Nc2nccc(-c3ccc(O)cc3)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 5/20 0.59
▸ CDC7 O00311 1/20 0.52
▸ CDK19 Q9BWU1 1/20 0.52
▸ CDK2 P24941 7/20 0.51
▸ CDK1 P06493 6/20 0.51
▸ MTOR P42345 5/20 0.51
▸ SMG1 Q96Q15 4/20 0.51
▸ PIK3CA P42336 3/20 0.51
▸ PIK3CG P48736 3/20 0.51
▸ SRC P12931 2/20 0.49
▸ PLK1 P53350 2/20 0.47
▸ NR4A1 P22736 2/20 0.46
▸ CDK4 P11802 1/20 0.46

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
SCHEMBL3518567 0.89 PIK3CG (0.58) IKBKBCDC7CDK19CDK2CDK1
SCHEMBL3517846 0.89 IKBKB (0.73) IKBKBCDK2CDK1CDK4
SCHEMBL3517971 0.84 IKBKB (0.53) IKBKBCDC7CDK19CDK2CDK1
SCHEMBL3516460 0.84 PIK3CG (0.60) IKBKBCDC7CDK19CDK2CDK1
SCHEMBL3520093 0.83 IKBKB (0.72) IKBKBCDC7CDK19CDK2CDK1
SCHEMBL3518240 0.81 IKBKB (0.70) IKBKBCDK2CDK1CDK4
SCHEMBL3519740 0.80 IKBKB (0.75) IKBKBCDK2CDK1CDK4
SCHEMBL3521274 0.80 IKBKB (0.71) IKBKBCDK2CDK1CDK4
SCHEMBL3521888 0.79 IKBKB (0.78) IKBKBCDK2CDK1CDK4
SCHEMBL3521405 0.79 IKBKB (0.73) IKBKBCDK2CDK1PIK3CAPIK3CG

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 3246/4885CDC7 943/4885CDK19 78/4885

“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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