SCHEMBL18780742

SCHEMBL18780742

CN(c1ccc(N)cc1)c1ccnc(Nc2cccc(N[SH](=O)=O)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 20/20 0.52
CYP3A4 P08684 5/20 0.49
CYP2D6 P10635 5/20 0.49
CYP2C9 P11712 5/20 0.49
CYP2C19 P33261 5/20 0.49
KIT P10721 3/20 0.47
PDGFRA P16234 3/20 0.47

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
SCHEMBL18780748 0.89 KDR (0.52) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL18780744 0.89 SCN9A (0.50) KDRKITPDGFRA
SCHEMBL18780743 0.85 CDK2 (0.48) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL18780745 0.82 KDR (0.43) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4810259 0.82 KDR (0.75) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL17261173 0.82 KDR (0.56) KDR
SCHEMBL18763343 0.81 KDR (0.63) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL13980535 0.81 KDR (0.76) KDR
SCHEMBL17260998 0.80 KDR (0.62) KDRCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL18780746 0.78 AURKA (0.54) KIT

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 2 patents. 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
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 (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 4376/4885CYP3A4 4866/4885CYP2D6 4870/4885
US-20180057465-A1 Inhibitors of Necroptosis RIPK3, RIPK1, AIFM1 KDR 4209/4885CYP3A4 4789/4885CYP2D6 4718/4885

“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.