SCHEMBL13430516

SCHEMBL13430516

CC(C)(C)c1nn(-c2nc(Nc3ccc(C(=O)O)cc3)nc(Nc3ccc(C(=O)O)cc3)n2)c(N)c1/N=N/c1c(C#N)cnn1-c1cc(C(=O)O)cc(C(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.40
FLT3 P36888 1/20 0.34
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CSNK2A1 P68400 2/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
AURKA O14965 1/20 0.32
CDK1 P06493 1/20 0.31
KDR P35968 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31

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
SCHEMBL12998776 0.90 XDH (0.41) XDHFLT3NPC1RAB9ASMN1; SMN2
SCHEMBL25845511 0.87 XDH (0.39) XDH
SCHEMBL13456834 0.87 XDH (0.39) XDH
SCHEMBL13430520 0.87 XDH (0.39) XDH
SCHEMBL13430514 0.86 XDH (0.43) XDHSMN1; SMN2
SCHEMBL12998685 0.83 XDH (0.37) XDHFLT3NPC1RAB9ASMN1; SMN2
SCHEMBL13144685 0.81 XDH (0.34) XDH
SCHEMBL13997025 0.81 XDH (0.42) XDHSMN1; SMN2
SCHEMBL15694828 0.80 XDH (0.38) XDH
SCHEMBL15694830 0.79 XDH (0.37) XDH

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-20100063262-A1 PROCESS FOR PRODUCING 5-AMINOPYRAZOLE DERIVATIVE, AND AZO DYE FUJIFILM CORPORATION (JP) 2010-03-11 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-20100063262-A1 PROCESS FOR PRODUCING 5-AMINOPYRAZOLE DERIVATIVE, AND AZO DYE H1-5, CYP3A5, IL5 XDH 100/4885FLT3 430/4885NPC1 4860/4885

“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.