SCHEMBL6730170

SCHEMBL6730170

Oc1nc(NCc2cccs2)nc(Nc2ccc3ncsc3c2)n1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH3 Q9ULD8 2/20 0.53
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
SYK P43405 1/20 0.45
PTPN1 P18031 1/20 0.44
PTPN11 Q06124 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
IKBKB O14920 3/20 0.42
CHUK O15111 1/20 0.42
TOP2A P11388 1/20 0.40
EGFR P00533 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
SCHEMBL6315627 0.84 KDR (0.64) KCNH3KDRINSRCSF1RPDGFRB
SCHEMBL6397615 0.83 KDR (0.53) KCNH3KDRINSRCSF1RPDGFRB
SCHEMBL6729004 0.83 MAPT (0.53) KCNH3KDRINSRCSF1RPDGFRB
SCHEMBL27970922 0.82 PTPN1 (0.62) KCNH3KDRPTPN1PTPN11L3MBTL1
SCHEMBL6400760 0.82 KDR (0.47) KCNH3KDRINSRCSF1RPDGFRB
SCHEMBL6400771 0.82 KDR (0.48) KDRINSRCSF1RPDGFRBPDGFRA
SCHEMBL6395906 0.81 KDR (0.60) KDRINSRCSF1RPDGFRBPDGFRA
SCHEMBL6406493 0.81 KDR (0.51) KDRINSRCSF1RPDGFRBPDGFRA
SCHEMBL6405778 0.81 KDR (0.52) KDRINSRCSF1RPDGFRBPDGFRA
SCHEMBL6400459 0.81 PFKFB3 (0.52) KCNH3KDRINSRCSF1RPDGFRB

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 KCNH3 1473/4885KDR 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.