SCHEMBL3450596

SCHEMBL3450596

CS(=O)(=O)NCCCNc1nc(Nc2ccc(F)c(Cl)c2)ncc1-c1cncnc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 15/20 0.55
STK17B O94768 10/20 0.55
MAPK1 P28482 1/20 0.42
GLO1 Q04760 1/20 0.42
AXL P30530 1/20 0.42
CHEK1 O14757 1/20 0.41
FLT3 P36888 1/20 0.41
IRAK1 P51617 1/20 0.41

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
SCHEMBL13348478 0.90 CHEK1 (0.43) STK17ASTK17BGLO1CHEK1FLT3
SCHEMBL13311035 0.86 STK17A (0.74) STK17ASTK17B
SCHEMBL3450397 0.86 STK17A (0.55) STK17ASTK17BAXLCHEK1FLT3
Hydrochloric Acid SCHEMBL3345813 0.85 STK17A (0.72) STK17ASTK17B
SCHEMBL13310814 0.85 STK17A (0.57) STK17ASTK17BMAPK1AXL
SCHEMBL13310862 0.85 STK17A (0.57) STK17ASTK17BAXL
SCHEMBL13310813 0.85 STK17A (0.57) STK17ASTK17BAXLCHEK1
SCHEMBL13310818 0.83 STK17A (0.54) STK17ASTK17BMAPK1AXL
SCHEMBL13310837 0.83 STK17A (0.54) STK17ASTK17BMAPK1AXL
SCHEMBL3448722 0.82 STK17A (0.54) STK17ASTK17BMAPK1AXL

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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD STK17A 1984/4885STK17B 2457/4885MAPK1 2905/4885

“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.