SCHEMBL4812355

SCHEMBL4812355

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

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.64
IKBKB O14920 3/20 0.62
CYP3A4 P08684 6/20 0.54
CYP2D6 P10635 6/20 0.54
CYP2C9 P11712 6/20 0.54
CYP2C19 P33261 6/20 0.54
AURKA O14965 1/20 0.52
RIPK1 Q13546 1/20 0.52
MLKL Q8NB16 1/20 0.52
RIPK3 Q9Y572 1/20 0.52
DKK1 O94907 1/20 0.51
GSK3B P49841 1/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
MAPK8 P45983 1/20 0.50
MAPK10 P53779 1/20 0.50
PARP1 P09874 1/20 0.49

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
SCHEMBL17261032 0.87 KDR (0.70) KDRIKBKBCYP3A4CYP2D6CYP2C9
SCHEMBL4810259 0.87 KDR (0.75) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL13980537 0.84 KDR (0.72) KDRAURKA
SCHEMBL18780744 0.82 SCN9A (0.50) KDRPARP1
SCHEMBL30629807 0.81 KDR (0.51) KDRIKBKBCYP3A4CYP2D6CYP2C9
SCHEMBL26114981 0.81 KDR (0.51) KDRIKBKBCYP3A4CYP2D6CYP2C9
SCHEMBL4816190 0.81 KDR (0.83) KDRAURKARIPK1MLKLRIPK3
SCHEMBL13980540 0.80 KDR (0.54) KDRAURKA
SCHEMBL17261079 0.80 KDR (0.51) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL17260968 0.79 KDR (0.77) KDRCYP3A4CYP2D6CYP2C9CYP2C19

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 4376/4885IKBKB 227/4885CYP3A4 4866/4885
US-20050085637-A1 Antiproliferative agents; angiogenesis inhibitors TIE1, TEK, KDR KDR 3/4885IKBKB 554/4885CYP3A4 4633/4885

“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.