SCHEMBL18780748

SCHEMBL18780748

CNc1ccc(N(C)c2ccnc(Nc3cccc(N[SH](=O)=O)c3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 0.52
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47
KIT P10721 3/20 0.47
PDGFRA P16234 3/20 0.47
AURKA O14965 1/20 0.46
RIPK1 Q13546 1/20 0.46
MLKL Q8NB16 1/20 0.46
RIPK3 Q9Y572 1/20 0.46

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) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL18780743 0.85 CDK2 (0.48) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL17260967 0.83 KDR (0.55) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL17260968 0.81 KDR (0.77) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL13980541 0.80 KDR (0.78) KDR
SCHEMBL18780744 0.80 SCN9A (0.50) KDRKITPDGFRA
SCHEMBL18780749 0.75 KDR (0.68) KDRKITPDGFRAAURKARIPK1
SCHEMBL17260998 0.72 KDR (0.62) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL18793161 0.71 KDR (0.74) KDRAURKARIPK1MLKLRIPK3
SCHEMBL18780745 0.71 KDR (0.43) 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 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 4376/4885CYP3A4 4866/4885CYP2D6 4870/4885

“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.