SCHEMBL4811434

SCHEMBL4811434

CN(c1ccc(NC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1)c1ccnc(Nc2ccc(S(N)(=O)=O)cc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 18/20 1.00
RIPK1 Q13546 2/20 0.83
MLKL Q8NB16 2/20 0.83
RIPK3 Q9Y572 2/20 0.83
AURKA O14965 1/20 0.83
KIT P10721 2/20 0.54
PDGFRA P16234 2/20 0.54
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 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
Gw806742X SCHEMBL4813162 0.91 KDR (1.00) KDRRIPK1MLKLRIPK3AURKA
Gw806742X SCHEMBL31136203 0.91 KDR (1.00) KDRRIPK1MLKLRIPK3AURKA
SCHEMBL4816190 0.88 KDR (0.83) KDRRIPK1MLKLRIPK3AURKA
SCHEMBL17261018 0.88 KDR (0.79) KDRRIPK1MLKLRIPK3AURKA
SCHEMBL17260948 0.88 KDR (0.79) KDRRIPK1MLKLRIPK3AURKA
SCHEMBL17260962 0.88 KDR (0.78) KDRRIPK1MLKLRIPK3AURKA
SCHEMBL17260942 0.86 KDR (0.76) KDRRIPK1MLKLRIPK3AURKA
SCHEMBL17261136 0.86 KDR (0.91) KDRRIPK1MLKLRIPK3AURKA
SCHEMBL17261014 0.86 KDR (0.91) KDRRIPK1MLKLRIPK3AURKA
SCHEMBL18763344 0.86 KDR (0.75) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459455-B2 Pyrimidine compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-12-02 US claimed
US-20050085637-A1 Antiproliferative agents; angiogenesis inhibitors SMITHKLINE BEECHAM CORPORATION 2005-04-21 US claimed
US-20170114025-A1 METHODS FOR INHIBITING NECROPTOSIS CATALYST THERAPEUTICS PTY LTD (AU) 2017-04-27 US disclosed
US-20170114025-A1 METHODS FOR INHIBITING NECROPTOSIS CATALYST THERAPEUTICS PTY LTD (AU) 2017-04-27 US disclosed
EP-3142667-A1 METHODS FOR INHIBITING NECROPTOSIS Catalyst Therapeutics Pty Ltd. (AU) 2017-03-22 EP disclosed
WO-2015172203-A1 METHODS FOR INHIBITING NECROPTOSIS CATALYST THERAPEUTICS PTY LTD (AU) 2015-11-19 WO disclosed
WO-2015172203-A1 METHODS FOR INHIBITING NECROPTOSIS CATALYST THERAPEUTICS PTY LTD (AU) 2015-11-19 WO 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-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
EP-1472233-A1 PYRIMIDINE COMPOUNDS SmithKline Beecham Corporation (US) 2004-11-03 EP disclosed
WO-2003066601-A1 PYRIMIDINE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2003-08-14 WO 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 (2 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-20170114025-A1 METHODS FOR INHIBITING NECROPTOSIS RIPK1, RIPK3, RIPK2 KDR 4376/4885RIPK1 1/4885MLKL 5/4885
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.