SCHEMBL6729308

SCHEMBL6729308

CN(c1cc(O)cc(Nc2ccc3ncsc3c2)c1)c1ccc2cn[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.49
LRRK2 Q5S007 1/20 0.37
SYK P43405 4/20 0.37
INSR P06213 3/20 0.36
IGF1R P08069 1/20 0.36
TOP2A P11388 1/20 0.36
RAF1 P04049 1/20 0.35
BRAF P15056 1/20 0.35
IKBKB O14920 1/20 0.35
KDR P35968 3/20 0.35
CSF1R P07333 2/20 0.35
PDGFRB P09619 2/20 0.35
PDGFRA P16234 2/20 0.35
TEK Q02763 2/20 0.35
KDM4E B2RXH2 1/20 0.34
RET P07949 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL6398272 0.82 IRAK4 (0.47) IRAK4LRRK2SYKINSRIGF1R
SCHEMBL6399057 0.75 IRAK4 (0.53) IRAK4LRRK2SYKINSRIGF1R
SCHEMBL6402777 0.74 IRAK4 (0.46) IRAK4LRRK2SYKINSRIGF1R
SCHEMBL10242655 0.67 SYK (0.64) SYK
SCHEMBL3286543 0.66 JAK3 (0.50) IRAK4LRRK2SYKTOP2ARAF1
SCHEMBL15120398 0.66 IRAK4 (1.00) IRAK4
SCHEMBL23510623 0.64 DYRK2 (0.67) IRAK4
SCHEMBL28842927 0.64 DYRK2 (0.67) IRAK4
SCHEMBL13896211 0.63 TOP2A (0.53) IRAK4LRRK2SYKINSRTOP2A
SCHEMBL14137873 0.61 NOS1 (0.53) INSRIGF1RKDM4EALDH1A1CYP1A2

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-20040110758-A1 4,6-Diaminosubstituted-2-[oxy or aminoxy]-[1,3,5]triazines as protein tyrosine kinase inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-06-10 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-20040110758-A1 4,6-Diaminosubstituted-2-[oxy or aminoxy]-[1,3,5]triazines as protein tyrosine kinase inhibitors TIE1, KDR, FLT1 IRAK4 408/4885LRRK2 1381/4885SYK 96/4885

“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.