SCHEMBL19913009

SCHEMBL19913009

Cc1ccc(NC(=O)Nc2ccc(N(C)c3ccnc(Nc4ccc(C)c(S(N)(=O)=O)c4)n3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.68
RIPK1 Q13546 3/20 0.62
RIPK3 Q9Y572 3/20 0.62
AURKA O14965 2/20 0.62
ABCB11 O95342 2/20 0.62
BMPR1B O00238 1/20 0.62
PLK4 O00444 1/20 0.62
GAK O14976 1/20 0.62
EPHB6 O15197 1/20 0.62
ABCC4 O15439 1/20 0.62
RIPK2 O43353 1/20 0.62
CA12 O43570 1/20 0.62
PIP5K1C O60331 1/20 0.62
JAK2 O60674 1/20 0.62
STK16 O75716 1/20 0.62
STK10 O94804 1/20 0.62
MAP4K4 O95819 1/20 0.62
ABL1 P00519 1/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62

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
SCHEMBL17261018 0.88 KDR (0.79) KDRRIPK1RIPK3AURKAABCB11
SCHEMBL19913010 0.87 KDR (0.90) KDRRIPK1RIPK3AURKACYP3A4
SCHEMBL23587676 0.85 KDR (0.66) KDRRIPK1RIPK3AURKAABCB11
SCHEMBL4816559 0.84 KDR (0.62) KDRRIPK1RIPK3AURKAABCB11
SCHEMBL13980585 0.84 KDR (0.70) KDRRIPK1RIPK3AURKAABCB11
SCHEMBL4814390 0.82 KDR (0.86) KDRRIPK1RIPK3AURKACYP3A4
SCHEMBL4817087 0.81 KDR (1.00) KDRRIPK1RIPK3AURKACYP3A4
SCHEMBL23587690 0.80 KDR (0.62) KDRRIPK1RIPK3AURKAABCB11
SCHEMBL17260962 0.80 KDR (0.78) KDRRIPK1RIPK3AURKAABCB11
SCHEMBL18793228 0.80 KDR (0.72) KDRRIPK1RIPK3AURKAMLKL

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-20180057465-A1 Inhibitors of Necroptosis CATALYST THERAPEUTICS PTY LTD (AU) 2018-03-01 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-20180057465-A1 Inhibitors of Necroptosis RIPK3, RIPK1, AIFM1 KDR 4209/4885RIPK1 2/4885RIPK3 1/4885

“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.