SCHEMBL3449758

SCHEMBL3449758

Fc1ccc(Nc2ncc(Br)c(NCCCN3CCOCC3)n2)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 5/20 0.56
STK17B O94768 3/20 0.56
MAP3K8 P41279 3/20 0.54
EGFR P00533 6/20 0.52
TBK1 Q9UHD2 1/20 0.49
MARK3 P27448 1/20 0.49
MARK4 Q96L34 1/20 0.49
AXL P30530 2/20 0.49
ERBB2 P04626 2/20 0.48
IGF1R P08069 2/20 0.47
PRKD3 O94806 2/20 0.47
SRC P12931 2/20 0.47
PRKD1 Q15139 2/20 0.47
MAPK14 Q16539 2/20 0.47
MAPT P10636 2/20 0.47
CIT O14578 1/20 0.47
GAK O14976 1/20 0.47
EPHB6 O15197 1/20 0.47
ABCC4 O15439 1/20 0.47
DAPK3 O43293 1/20 0.47

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
SCHEMBL3447547 0.94 EGFR (0.58) STK17ASTK17BMAP3K8EGFRMARK3
SCHEMBL3448511 0.88 STK17A (0.55) STK17ASTK17BMAP3K8TBK1AXL
SCHEMBL13310836 0.85 STK17A (0.52) STK17ASTK17BMAP3K8EGFRAXL
SCHEMBL3449683 0.84 AXL (0.62) STK17ASTK17BMAP3K8EGFRTBK1
SCHEMBL3449465 0.82 STK17A (0.55) STK17ASTK17BEGFRTBK1AXL
SCHEMBL3449182 0.82 STK17A (0.52) STK17ASTK17BMAP3K8EGFRTBK1
SCHEMBL3700191 0.81 STK17A (0.53) STK17ASTK17BMAP3K8EGFRMAPT
SCHEMBL3451485 0.81 STK17A (0.47) STK17ASTK17BMAP3K8EGFRAXL
SCHEMBL1916627 0.80 CHEK1 (0.61) STK17ASTK17BRPS6KA4KITFLT3
SCHEMBL13310824 0.80 EGFR (0.56) STK17ASTK17BMAP3K8EGFRAXL

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 STK17A 1984/4885STK17B 2457/4885MAP3K8 3307/4885

“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.