SCHEMBL3451256

SCHEMBL3451256

COc1cc(Nc2ncc(-c3cccc(C=CC(=O)O)c3)c(-n3nc(C(F)(F)F)cc3C)n2)cc(S(C)(=O)=O)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
SYK P43405 6/20 0.38
AXL P30530 2/20 0.37
EGFR P00533 1/20 0.36
BTK Q06187 1/20 0.36
RIPK2 O43353 1/20 0.36
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
MAPK3 P27361 1/20 0.35
PTK2 Q05397 1/20 0.35
CNR2 P34972 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL3451251 1.00 THRB (0.40) THRBHTTSYKAXLEGFR
SCHEMBL3448845 0.94 THRB (0.40) THRBHTTSYKAXLEGFR
SCHEMBL3448834 0.94 THRB (0.40) THRBHTTSYKAXLEGFR
SCHEMBL3450550 0.91 KDR (0.42) THRBHTTSYKAXLBTK
SCHEMBL3450547 0.91 KDR (0.42) THRBHTTSYKAXLBTK
SCHEMBL3451059 0.90 SYK (0.44) SYKRIPK2JAK2JAK3PTK2
SCHEMBL3447705 0.90 SYK (0.44) SYKRIPK2JAK2JAK3PTK2
SCHEMBL13311982 0.89 THRB (0.36) THRBHTTSYKAXLEGFR
SCHEMBL3448273 0.89 SYK (0.37) THRBHTTSYKAXLEGFR
SCHEMBL3448270 0.89 SYK (0.37) THRBHTTSYKAXLEGFR

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 THRB 3527/4885HTT 3861/4885SYK 804/4885

“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.