SCHEMBL6729957

SCHEMBL6729957

OCC(Nc1nc(O)nc(Nc2ccc3ncsc3c2)n1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 9/20 0.56
MAP4K1 Q92918 1/20 0.56
KDR P35968 5/20 0.53
INSR P06213 2/20 0.53
PDGFRB P09619 2/20 0.53
PDGFRA P16234 2/20 0.53
TEK Q02763 2/20 0.53
CSF1R P07333 1/20 0.53
SYK P43405 1/20 0.46
IKBKB O14920 3/20 0.44
JAK3 P52333 4/20 0.43
CHUK O15111 1/20 0.41
CFTR P13569 1/20 0.40

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
SCHEMBL6394114 0.86 KDR (0.57) IRAK4MAP4K1KDRINSRPDGFRB
SCHEMBL6394127 0.86 KDR (0.57) IRAK4MAP4K1KDRINSRPDGFRB
SCHEMBL6399896 0.86 KDR (0.57) IRAK4MAP4K1KDRINSRPDGFRB
SCHEMBL6395906 0.84 KDR (0.60) KDRINSRPDGFRBPDGFRATEK
SCHEMBL6315627 0.81 KDR (0.64) IRAK4KDRINSRPDGFRBPDGFRA
SCHEMBL6729217 0.80 KDR (0.50) IRAK4MAP4K1KDRINSRPDGFRB
SCHEMBL6731642 0.78 KDR (0.49) IRAK4KDRINSRPDGFRBPDGFRA
SCHEMBL6405264 0.78 KDR (0.53) IRAK4KDRINSRPDGFRBPDGFRA
SCHEMBL6392417 0.78 KDR (0.84) KDRINSRPDGFRBPDGFRATEK
SCHEMBL6731924 0.78 KDR (0.53) KDRINSRPDGFRBPDGFRATEK

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-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
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 408/4885MAP4K1 416/4885KDR 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.