SCHEMBL3449646

SCHEMBL3449646

COc1cc(Nc2ncc(N(C(=O)c3cccnc3OCCCS(C)(=O)=O)S(C)(=O)=O)c(-n3ccc(C(F)(F)F)n3)n2)cc(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.40
GPBAR1 Q8TDU6 2/20 0.39
PTK2 Q05397 8/20 0.36
EGFR P00533 5/20 0.35
ITK Q08881 3/20 0.35
MAPK3 P27361 1/20 0.34
CNR2 P34972 1/20 0.34
ZAP70 P43403 1/20 0.33
KARS1 Q15046 1/20 0.33

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
SCHEMBL13312615 0.81 SYK (0.37) AXLEGFRITKMAPK3CNR2
SCHEMBL13312620 0.80 SCN9A (0.35) AXLEGFRCNR2
SCHEMBL13312583 0.79 SIRT5 (0.39) AXLEGFRITK
SCHEMBL3449654 0.79 SYK (0.35) AXLGPBAR1EGFRITKMAPK3
SCHEMBL3448707 0.78 AXL (0.35) AXLEGFRITKMAPK3CNR2
SCHEMBL3449666 0.78 AXL (0.35) AXLEGFRITKMAPK3CNR2
SCHEMBL3451183 0.73 CNR2 (0.39) AXLCNR2
SCHEMBL13421203 0.73 AXL (0.36) AXLEGFRITKMAPK3CNR2
SCHEMBL3447552 0.72 RAF1 (0.38) AXLCNR2
SCHEMBL3449763 0.72 RAF1 (0.38) AXLEGFRMAPK3CNR2

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-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 AXL 2812/4885GPBAR1 395/4885PTK2 3971/4885

“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.