SCHEMBL3450813

SCHEMBL3450813

O=C(O)c1cncc(-c2cnc(Nc3ccc(F)c(Cl)c3)nc2NCCN2CCS(=O)(=O)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AXL P30530 3/20 0.46
STK17A Q9UEE5 2/20 0.44
STK17B O94768 1/20 0.44
IRAK1 P51617 2/20 0.43
CSNK2A1 P68400 6/20 0.41
EGFR P00533 6/20 0.40
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
AURKA O14965 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
SCHEMBL3448179 0.95 STK17A (0.47) AXLSTK17ASTK17BIRAK1CSNK2A1
SCHEMBL13311137 0.92 AXL (0.55) AXLSTK17ASTK17BCSNK2A1EGFR
SCHEMBL3447664 0.90 EGFR (0.49) AXLSTK17ASTK17BCSNK2A1EGFR
SCHEMBL3448151 0.90 AXL (0.46) AXLSTK17ASTK17BIRAK1EGFR
SCHEMBL13310830 0.89 AXL (0.49) AXLSTK17ASTK17BIRAK1EGFR
SCHEMBL3449458 0.86 STK17A (0.45) AXLSTK17ASTK17BCSNK2A1EGFR
SCHEMBL3451485 0.86 STK17A (0.47) AXLSTK17ASTK17BIRAK1CSNK2A1
SCHEMBL13310831 0.84 STK17A (0.51) AXLSTK17ASTK17BIRAK1EGFR
SCHEMBL3450308 0.84 STK17A (0.51) AXLSTK17ASTK17BCSNK2A1EGFR
SCHEMBL3448223 0.84 STK17A (0.46) AXLSTK17ASTK17BCSNK2A1EGFR

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 4 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
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 AXL 2812/4885STK17A 1984/4885STK17B 2457/4885

“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.