SCHEMBL6729217

SCHEMBL6729217

CCC(Cc1ccccc1)Nc1nc(O)nc(Nc2ccc3ncsc3c2)n1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.50
INSR P06213 3/20 0.50
TEK Q02763 3/20 0.50
CSF1R P07333 2/20 0.50
PDGFRB P09619 2/20 0.50
PDGFRA P16234 2/20 0.50
IRAK4 Q9NWZ3 9/20 0.49
JAK3 P52333 7/20 0.49
SYK P43405 1/20 0.43
KCNH3 Q9ULD8 1/20 0.42
CFTR P13569 1/20 0.42
IKBKB O14920 2/20 0.41
MAP4K1 Q92918 1/20 0.39

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
SCHEMBL6315627 0.81 KDR (0.64) KDRINSRTEKCSF1RPDGFRB
SCHEMBL6395906 0.81 KDR (0.60) KDRINSRTEKCSF1RPDGFRB
SCHEMBL6399896 0.81 KDR (0.57) KDRINSRTEKCSF1RPDGFRB
SCHEMBL6394114 0.81 KDR (0.57) KDRINSRTEKCSF1RPDGFRB
SCHEMBL6394127 0.81 KDR (0.57) KDRINSRTEKCSF1RPDGFRB
SCHEMBL6729957 0.80 IRAK4 (0.56) KDRINSRTEKCSF1RPDGFRB
SCHEMBL6405264 0.79 KDR (0.53) KDRINSRTEKCSF1RPDGFRB
SCHEMBL6399454 0.78 KDR (0.65) KDRINSRTEKCSF1RPDGFRB
SCHEMBL6393381 0.78 KDR (0.62) KDRINSRTEKCSF1RPDGFRB
SCHEMBL6731642 0.77 KDR (0.49) KDRINSRTEKCSF1RPDGFRB

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 KDR 2/4885INSR 358/4885TEK 5/4885

“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.