SCHEMBL6108014

SCHEMBL6108014

Nc1nc(N)c2c(I)cn(C3CCC(N4CCOCC4)CC3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.40
RET P07949 3/20 0.37
KDR P35968 2/20 0.37
DHFR P00374 2/20 0.34
TYK2 P29597 1/20 0.33
MAP4K4 O95819 2/20 0.33
ADK P55263 2/20 0.33
JAK1 P23458 1/20 0.33
IRAK4 Q9NWZ3 3/20 0.32
IRAK2 O43187 1/20 0.32
CLK1 P49759 1/20 0.32
CLK2 P49760 1/20 0.32
IRAK1 P51617 1/20 0.32
HASPIN Q8TF76 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
IRAK3 Q9Y616 1/20 0.32
IGF1R P08069 1/20 0.32
LCK P06239 2/20 0.31
SRC P12931 2/20 0.31
TEK Q02763 2/20 0.31

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
SCHEMBL2950069 0.75 ADORA2A (0.49) HRH3MAP4K4JAK1
SCHEMBL30465997 0.72 HRH3 (0.43) HRH3RETKDRMTOR
SCHEMBL19743265 0.72 SRC (0.52) RETKDRMAP4K4ADKIRAK4
SCHEMBL29503453 0.72 SRC (0.52) RETKDRMAP4K4ADKIRAK4
SCHEMBL1786788 0.70 RET (0.58) RETKDRMAP4K4ADKCLK2
SCHEMBL4721622 0.68 SRC (0.59) RETKDRMAP4K4ADKIRAK4
SCHEMBL6866172 0.68 SRC (0.59) RETKDRMAP4K4ADKIRAK4
SCHEMBL6867797 0.68 SRC (0.59) RETKDRMAP4K4ADKIRAK4
Hydrochloric Acid SCHEMBL6868366 0.68 SRC (0.58) RETKDRMAP4K4ADKIRAK4
Hydrochloric Acid SCHEMBL6868362 0.68 SRC (0.58) RETKDRMAP4K4ADKIRAK4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060025383-A1 Aminobenzoxazoles as therapeutic agents ABBOTT LABORATORIES 2006-02-02 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-20060025383-A1 Aminobenzoxazoles as therapeutic agents ABL1, MAP3K19, MAP3K20 HRH3 2750/4885RET 848/4885KDR 2441/4885

“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.