SCHEMBL6730873

SCHEMBL6730873

Oc1nc(NCc2ccc(F)c(C(F)(F)F)c2)nc(Nc2ccc3ncccc3c2)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 1/20 0.46
ULK1 O75385 1/20 0.46
ULK2 Q8IYT8 1/20 0.46
AURKA O14965 2/20 0.45
NPC1 O15118 1/20 0.45
HDAC6 Q9UBN7 1/20 0.43
VNN1 O95497 1/20 0.41
GRM4 Q14833 1/20 0.41
KCNH3 Q9ULD8 7/20 0.41
TERT O14746 1/20 0.39
KDR P35968 1/20 0.39
ABL1 P00519 1/20 0.39
SRC P12931 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TRPV1 Q8NER1 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
SCHEMBL6394934 0.82 KDR (0.44) RPS6KB1NPC1VNN1KCNH3KDR
SCHEMBL6314646 0.74 AURKA (0.54) AURKANPC1HDAC6KCNH3TERT
SCHEMBL6395410 0.74 AURKA (0.54) AURKANPC1HDAC6KCNH3TERT
SCHEMBL8908495 0.69 STK17A (0.49) VNN1KCNH3KDM4E
SCHEMBL6393984 0.68 KDR (0.56) ULK1ULK2AURKANPC1TERT
SCHEMBL1392072 0.68 IDH2 (0.62) KCNH3
SCHEMBL8908486 0.67 STK17A (0.50) VNN1KCNH3KDM4E
SCHEMBL5758552 0.67 NPC1 (0.60) ULK1ULK2NPC1GRM4TERT
SCHEMBL6395412 0.66 TERT (0.48) AURKANPC1TERTKDR
SCHEMBL6406526 0.65 KDR (0.52) NPC1KCNH3KDR

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 RPS6KB1 2597/4885ULK1 2280/4885ULK2 1306/4885

“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.