SCHEMBL21363872

SCHEMBL21363872

Cc1cc2ncnn2cc1-c1cccnc1-c1cc(Cl)c(F)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
CHRM5 P08912 4/20 0.36
TGFBR1 P36897 2/20 0.34
TLR8 Q9NR97 3/20 0.33
TLR7 Q9NYK1 3/20 0.33
TLR9 Q9NR96 2/20 0.33
EGFR P00533 1/20 0.32
KDR P35968 1/20 0.32
KMO O15229 1/20 0.32
CYP11B2 P19099 1/20 0.32
SMO Q99835 1/20 0.31
MAP4K4 O95819 2/20 0.31
EGLN2 Q96KS0 1/20 0.31
JAK2 O60674 1/20 0.31

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
SCHEMBL15638088 0.89 TGFBR1 (0.40) SLC6A2SLC6A4SLC6A3PDE4APDE4B
SCHEMBL15639873 0.83 PDE4A (0.37) SLC6A2SLC6A4SLC6A3PDE4APDE4B
SCHEMBL15637970 0.83 PDE4A (0.38) SLC6A2SLC6A4SLC6A3PDE4APDE4B
SCHEMBL15639472 0.83 EGLN2 (0.41) SLC6A2SLC6A4SLC6A3PDE4APDE4B
SCHEMBL15637908 0.82 EGLN2 (0.38) SLC6A2SLC6A4SLC6A3PDE4APDE4B
SCHEMBL21363867 0.81 KMO (0.39) SLC6A2SLC6A4SLC6A3CHRM5TGFBR1
SCHEMBL16460348 0.80 PDE4A (0.43) SLC6A2SLC6A4SLC6A3PDE4APDE4B
SCHEMBL21363870 0.79 TGFBR1 (0.40) SLC6A2SLC6A4SLC6A3TGFBR1EGFR
SCHEMBL21363871 0.74 EGLN2 (0.43) PDE4APDE4BPDE4CPDE4DTGFBR1
SCHEMBL15640064 0.73 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3TGFBR1KDR

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-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use RIGEL PHARMACEUTICALS, INC. (US) 2019-09-19 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-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use TGFBR2, ACVR1, TGFBR1 SLC6A2 3684/4885SLC6A4 3510/4885SLC6A3 3870/4885

“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.