SCHEMBL4811954

SCHEMBL4811954

CC(=O)Nc1ccc(N(C)c2ccnc(Nc3cccc(S(N)(=O)=O)c3)n2)cc1

nearest known ligand 0.84

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDR P35968 19/20 0.84
RIPK1 Q13546 2/20 0.73
MLKL Q8NB16 2/20 0.73
RIPK3 Q9Y572 2/20 0.73
AURKA O14965 1/20 0.73
CYP3A4 P08684 7/20 0.65
CYP2D6 P10635 7/20 0.65
CYP2C9 P11712 7/20 0.65
CYP2C19 P33261 7/20 0.65

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
SCHEMBL4817087 0.91 KDR (1.00) KDRRIPK1MLKLRIPK3AURKA
SCHEMBL19913010 0.90 KDR (0.90) KDRRIPK1MLKLRIPK3AURKA
SCHEMBL17261032 0.89 KDR (0.70) KDRRIPK1MLKLRIPK3AURKA
SCHEMBL4814390 0.88 KDR (0.86) KDRRIPK1MLKLRIPK3AURKA
SCHEMBL17260968 0.88 KDR (0.77) KDRRIPK1MLKLRIPK3AURKA
SCHEMBL4814501 0.87 KDR (0.85) KDRRIPK1MLKLRIPK3AURKA
SCHEMBL4809268 0.87 KDR (0.85) KDRRIPK1MLKLRIPK3AURKA
SCHEMBL4810259 0.87 KDR (0.75) KDRRIPK1MLKLRIPK3AURKA
SCHEMBL4814595 0.87 KDR (0.85) KDRRIPK1MLKLRIPK3AURKA
SCHEMBL17261008 0.87 KDR (0.81) KDRRIPK1MLKLRIPK3AURKA

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-7459455-B2 Pyrimidine compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-12-02 US disclosed
US-7459455-B2 Pyrimidine compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-12-02 US disclosed
US-7459455-B2 Pyrimidine compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-12-02 US disclosed
US-20050085637-A1 Antiproliferative agents; angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION 2005-04-21 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-20050085637-A1 Antiproliferative agents; angiogenesis inhibitors TIE1, TEK, KDR KDR 3/4885RIPK1 2377/4885MLKL 1727/4885

“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.