SCHEMBL18780744

SCHEMBL18780744

CN(c1ccc(N)cc1)c1ccnc(Nc2ccc(N[SH](=O)=O)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.50
KCNH2 Q12809 1/20 0.50
SCN5A Q14524 1/20 0.50
KDR P35968 15/20 0.48
PARP1 P09874 5/20 0.45
KIT P10721 2/20 0.43
PDGFRA P16234 2/20 0.43

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
SCHEMBL18780742 0.89 KDR (0.52) KDRKITPDGFRA
SCHEMBL18780745 0.84 KDR (0.43) SCN9AKCNH2SCN5AKDRPARP1
SCHEMBL4812355 0.82 KDR (0.64) KDRPARP1
SCHEMBL13980537 0.81 KDR (0.72) KDR
SCHEMBL18780748 0.80 KDR (0.52) KDRKITPDGFRA
SCHEMBL23788989 0.79 SCN9A (0.52) SCN9AKCNH2SCN5AKIT
SCHEMBL17260967 0.78 KDR (0.55) SCN9AKCNH2SCN5AKDRPARP1
SCHEMBL13980540 0.76 KDR (0.54) KDR
SCHEMBL17979902 0.76 PARP1 (0.51) KDRPARP1KITPDGFRA
SCHEMBL17261067 0.75 KDR (0.50) KDRPARP1KITPDGFRA

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 SCN9A 3657/4885KCNH2 2645/4885SCN5A 4046/4885

“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.