SCHEMBL13311981

SCHEMBL13311981

[C-]#[N+]c1cc(Nc2ncc(-c3cccc(/C=C/C(=O)O)c3)c(-n3ccc(C(F)(F)F)n3)n2)cc(OC)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.35
HTT P42858 1/20 0.35
MAPK3 P27361 1/20 0.35
CNR2 P34972 1/20 0.35
EGFR P00533 5/20 0.34
BTK Q06187 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDR P35968 1/20 0.34
SYK P43405 6/20 0.33
AXL P30530 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
PTK2 Q05397 1/20 0.32
FYN P06241 1/20 0.32

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
SCHEMBL3448610 0.93 MAPK3 (0.40) THRBHTTMAPK3CNR2EGFR
SCHEMBL3448626 0.93 MAPK3 (0.40) THRBHTTMAPK3CNR2EGFR
SCHEMBL13312476 0.90 THRB (0.37) THRBHTTMAPK3CNR2EGFR
SCHEMBL13311900 0.90 RHOA (0.37) SYKPIM2FYN
SCHEMBL13311982 0.89 THRB (0.36) THRBHTTMAPK3CNR2EGFR
SCHEMBL3448777 0.88 THRB (0.39) THRBHTTMAPK3CNR2EGFR
SCHEMBL3448776 0.88 THRB (0.39) THRBHTTMAPK3CNR2EGFR
SCHEMBL3448160 0.88 IDH1 (0.37) THRBHTTMAPK3CNR2EGFR
SCHEMBL3448156 0.88 IDH1 (0.37) THRBHTTMAPK3CNR2EGFR
SCHEMBL13311739 0.87 MAPK3 (0.40) MAPK3CNR2EGFRBTKMEN1

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 3861/4885MAPK3 2827/4885

“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.