SCHEMBL18763344

SCHEMBL18763344

Cc1ccc(Nc2nccc(N(C)c3ccc(NC(=O)Nc4ccc(OC(F)(F)F)cc4)cc3)n2)cc1.N[SH](=O)=O

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.75
RIPK1 Q13546 2/20 0.68
MLKL Q8NB16 2/20 0.68
RIPK3 Q9Y572 2/20 0.68
AURKA O14965 1/20 0.68
KIT P10721 2/20 0.55
PDGFRA P16234 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.45
KCNH2 Q12809 1/20 0.45
SCN5A Q14524 1/20 0.45
SCN9A Q15858 1/20 0.45

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
SCHEMBL17260948 0.95 KDR (0.79) KDRRIPK1MLKLRIPK3AURKA
SCHEMBL4811434 0.86 KDR (1.00) KDRRIPK1MLKLRIPK3AURKA
SCHEMBL17979841 0.84 KDR (0.70) KDRRIPK1MLKLRIPK3AURKA
SCHEMBL17979939 0.83 KDR (0.79) KDRRIPK1MLKLRIPK3AURKA
SCHEMBL17261018 0.83 KDR (0.79) KDRRIPK1MLKLRIPK3AURKA
SCHEMBL17979866 0.82 KDR (0.78) KDRRIPK1MLKLRIPK3AURKA
SCHEMBL17260951 0.82 KDR (0.77) KDRRIPK1MLKLRIPK3AURKA
SCHEMBL17979850 0.82 KDR (0.69) KDRRIPK1MLKLRIPK3AURKA
SCHEMBL17980324 0.82 KDR (0.67) KDRRIPK1MLKLRIPK3AURKA
SCHEMBL17261227 0.82 KDR (0.67) 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 1 patent. 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

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-20170114025-A1 METHODS FOR INHIBITING NECROPTOSIS RIPK1, RIPK3, RIPK2 KDR 4376/4885RIPK1 1/4885MLKL 5/4885

“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.