SCHEMBL6404350

SCHEMBL6404350

CN(C)CCN(Cc1ccccc1)c1nc(O)nc(Nc2ccc3ncsc3c2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.54
INSR P06213 4/20 0.54
TEK Q02763 4/20 0.54
PDGFRB P09619 3/20 0.54
PDGFRA P16234 3/20 0.54
CSF1R P07333 2/20 0.54
CFTR P13569 1/20 0.49
JAK3 P52333 2/20 0.42
IRAK4 Q9NWZ3 2/20 0.42
SYK P43405 1/20 0.42
IKBKB O14920 4/20 0.41
CHRM2 P08172 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
DRD1 P21728 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 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
SCHEMBL6394106 0.95 KDR (0.52) KDRINSRTEKPDGFRBPDGFRA
SCHEMBL6729223 0.92 KDR (0.57) KDRINSRTEKPDGFRBPDGFRA
SCHEMBL6399454 0.91 KDR (0.65) KDRINSRTEKPDGFRBPDGFRA
SCHEMBL6401464 0.88 KDR (0.54) KDRINSRTEKPDGFRBPDGFRA
SCHEMBL6728908 0.86 KDR (0.54) KDRINSRTEKPDGFRBPDGFRA
SCHEMBL6398204 0.85 KDR (0.56) KDRINSRTEKPDGFRBPDGFRA
SCHEMBL6397238 0.85 KDR (0.51) KDRINSRTEKPDGFRBPDGFRA
SCHEMBL6399834 0.85 KDR (0.48) KDRINSRTEKPDGFRBPDGFRA
SCHEMBL6394323 0.84 KDR (0.47) KDRINSRTEKPDGFRBPDGFRA
SCHEMBL6315370 0.84 KDR (0.50) KDRINSRTEKPDGFRBPDGFRA

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 5 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
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 disclosed
US-20050004186-A1 MEK inhibiting compounds PFIZER INC 2005-01-06 US disclosed
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
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 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 (2 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-20050004186-A1 MEK inhibiting compounds MAPK1, MAP3K1, MAPK3 KDR 202/4885INSR 1333/4885TEK 164/4885
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.