SCHEMBL3449182

SCHEMBL3449182

O=S1(=O)CCN(CCNc2nc(Nc3ccc(F)c(Cl)c3)ncc2Br)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 8/20 0.52
STK17B O94768 6/20 0.52
AXL P30530 3/20 0.51
TBK1 Q9UHD2 3/20 0.45
EGFR P00533 3/20 0.44
MAP3K8 P41279 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
PDPK1 O15530 2/20 0.41
ULK1 O75385 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
SCHEMBL3448511 0.95 STK17A (0.55) STK17ASTK17BAXLTBK1MAP3K8
SCHEMBL3449683 0.90 AXL (0.62) STK17ASTK17BAXLTBK1EGFR
SCHEMBL3447547 0.87 EGFR (0.58) STK17ASTK17BAXLEGFRMAP3K8
SCHEMBL13310830 0.85 AXL (0.49) STK17ASTK17BAXLEGFRMAP3K8
SCHEMBL13310343 0.84 STK17A (0.52) STK17ASTK17BAXLTBK1PDPK1
SCHEMBL3449758 0.82 STK17A (0.56) STK17ASTK17BAXLTBK1EGFR
SCHEMBL3450813 0.81 AXL (0.46) STK17ASTK17BAXLEGFR
SCHEMBL13310831 0.81 STK17A (0.51) STK17ASTK17BAXLEGFRMAP3K8
SCHEMBL3448855 0.79 STK17A (0.62) STK17ASTK17BAXL
SCHEMBL3449465 0.79 STK17A (0.55) STK17ASTK17BAXLTBK1EGFR

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
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD STK17A 1984/4885STK17B 2457/4885AXL 2812/4885

“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.