SCHEMBL6392117

SCHEMBL6392117

Oc1nc(Nc2ccc3ncsc3c2)nc(N(CCCn2ccnc2)Cc2ccccc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 6/20 0.47
INSR P06213 3/20 0.47
TEK Q02763 3/20 0.47
CSF1R P07333 2/20 0.47
PDGFRB P09619 2/20 0.47
PDGFRA P16234 2/20 0.47
CFTR P13569 1/20 0.43
IKBKB O14920 4/20 0.40
SSTR2 P30874 3/20 0.39
SSTR4 P31391 3/20 0.39
SYK P43405 1/20 0.39
DYRK3 O43781 1/20 0.38
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
CLK3 P49761 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK2 Q92630 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK4 Q9NR20 1/20 0.38

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
SCHEMBL6402149 0.89 KDR (0.47) KDRINSRTEKCSF1RPDGFRB
SCHEMBL6394106 0.84 KDR (0.52) KDRINSRTEKCSF1RPDGFRB
SCHEMBL6394323 0.84 KDR (0.47) KDRINSRTEKCSF1RPDGFRB
SCHEMBL6399454 0.84 KDR (0.65) KDRINSRTEKCSF1RPDGFRB
SCHEMBL6313981 0.83 KDR (0.45) KDRINSRTEKCSF1RPDGFRB
SCHEMBL6728908 0.83 KDR (0.54) KDRINSRTEKCSF1RPDGFRB
SCHEMBL6729223 0.83 KDR (0.57) KDRINSRTEKCSF1RPDGFRB
SCHEMBL6404350 0.82 KDR (0.54) KDRINSRTEKCSF1RPDGFRB
SCHEMBL6401975 0.81 KDR (0.47) KDRINSRTEKCSF1RPDGFRB
SCHEMBL6724072 0.81 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 4 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-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 (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.