SCHEMBL6399057

SCHEMBL6399057

Oc1nc(Nc2ccc3cn[nH]c3c2)nc(Nc2ccc3ncsc3c2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.53
CDC7 O00311 2/20 0.49
KDR P35968 4/20 0.46
INSR P06213 2/20 0.46
CSF1R P07333 2/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
TEK Q02763 1/20 0.46
TOP2A P11388 2/20 0.45
SYK P43405 6/20 0.44
DAPK3 O43293 3/20 0.44
PAK4 O96013 3/20 0.44
PIM1 P11309 3/20 0.44
CSNK1A1 P48729 3/20 0.44
CLK2 P49760 3/20 0.44
MAP4K2 Q12851 3/20 0.44
DYRK1A Q13627 3/20 0.44
PRKD3 O94806 2/20 0.44
MAP4K4 O95819 2/20 0.44
PRKACA P17612 2/20 0.44

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 0.86 IRAK4 (0.47) IRAK4CDC7KDRINSRCSF1R
SCHEMBL6402777 0.83 IRAK4 (0.46) IRAK4CDC7KDRINSRCSF1R
SCHEMBL3286543 0.81 JAK3 (0.50) IRAK4CDC7KDRPDGFRBPDGFRA
SCHEMBL6395906 0.80 KDR (0.60) KDRINSRCSF1RPDGFRBPDGFRA
SCHEMBL10242655 0.79 SYK (0.64) SYK
SCHEMBL6731924 0.78 KDR (0.53) KDRINSRCSF1RPDGFRBPDGFRA
SCHEMBL6401267 0.76 KDR (0.47) IRAK4KDRINSRCSF1RPDGFRB
SCHEMBL13896211 0.76 TOP2A (0.53) IRAK4KDRINSRCSF1RPDGFRB
SCHEMBL6729308 0.75 IRAK4 (0.49) IRAK4CDC7KDRINSRCSF1R
SCHEMBL6315627 0.74 KDR (0.64) IRAK4KDRINSRCSF1RPDGFRB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1549645-A1 4,6-DIAMINOSUBSTITUTED-2-[OXY OR AMINOXY]-[1,3,5]TRIAZINES AS PROTEIN TYROSINE KINASE INHIBITORS Johnson & Johnson Pharmaceutical Research & Development, Inc. (US) 2005-07-06 EP claimed
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 claimed
WO-2004031184-A1 4,6-DIAMINOSUBSTITUTED-2-[OXY OR AMINOXY]-[1,3,5]TRIAZINES AS PROTEIN TYROSINE KINASE INHIBITORS JOHNSON & JOHNSON PHARMACEUTICAL RESEARCH & DEVELOPMENT, INC. (US) 2004-04-15 WO claimed
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 408/4885CDC7 481/4885KDR 2/4885

“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.