SCHEMBL6400459

SCHEMBL6400459

Oc1nc(NCc2ccccc2F)nc(Nc2ccc3ncsc3c2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 2/20 0.52
KDR P35968 4/20 0.48
INSR P06213 1/20 0.48
CSF1R P07333 1/20 0.48
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48
TEK Q02763 1/20 0.48
IRAK4 Q9NWZ3 2/20 0.47
JAK3 P52333 1/20 0.47
SYK P43405 1/20 0.46
IKBKB O14920 3/20 0.43
CHUK O15111 1/20 0.43
AURKA O14965 1/20 0.42
KCNH3 Q9ULD8 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CFTR P13569 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TOP2A P11388 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
SCHEMBL6403872 0.89 JAK3 (0.50) PFKFB3KDRINSRCSF1RPDGFRB
SCHEMBL6400760 0.88 KDR (0.47) PFKFB3KDRINSRCSF1RPDGFRB
SCHEMBL6729137 0.88 KDR (0.51) PFKFB3KDRINSRCSF1RPDGFRB
SCHEMBL6406493 0.88 KDR (0.51) PFKFB3KDRINSRCSF1RPDGFRB
SCHEMBL6315627 0.85 KDR (0.64) KDRINSRCSF1RPDGFRBPDGFRA
SCHEMBL6321516 0.84 KDR (0.55) PFKFB3KDRINSRCSF1RPDGFRB
SCHEMBL6401560 0.82 CFTR (0.55) PFKFB3KDRINSRCSF1RPDGFRB
SCHEMBL6406526 0.82 KDR (0.52) KDRINSRCSF1RPDGFRBPDGFRA
SCHEMBL6395906 0.82 KDR (0.60) KDRINSRCSF1RPDGFRBPDGFRA
SCHEMBL6321519 0.81 KDR (0.51) PFKFB3KDRINSRCSF1RPDGFRB

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 PFKFB3 1211/4885KDR 2/4885INSR 358/4885

“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.