SCHEMBL21363868

SCHEMBL21363868

Fc1ccc(Cl)cc1-c1ncccc1-c1cn2ncnc2cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 4/20 0.39
EGFR P00533 3/20 0.35
KDR P35968 3/20 0.35
TGFBR1 P36897 2/20 0.35
HSD11B1 P28845 1/20 0.35
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
MAP4K4 O95819 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
MAPK14 Q16539 1/20 0.32
TNKS O95271 1/20 0.32
CHRM5 P08912 1/20 0.31
GABRA1 P14867 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
SCHEMBL15637908 0.89 EGLN2 (0.38) EGLN2EGFRKDRTGFBR1HSD11B1
SCHEMBL21363870 0.85 TGFBR1 (0.40) EGLN2EGFRKDRTGFBR1TSHR
SCHEMBL15639204 0.84 TGFBR1 (0.42) EGLN2TGFBR1SLC6A2SLC6A4SLC6A3
SCHEMBL21363871 0.82 EGLN2 (0.43) EGLN2KDRTGFBR1MAP4K4
SCHEMBL21363867 0.82 KMO (0.39) EGLN2EGFRKDRTGFBR1MAP4K4
SCHEMBL15639419 0.81 TGFBR1 (0.39) EGLN2EGFRKDRTGFBR1GABRG2
SCHEMBL15638231 0.81 TGFBR1 (0.47) EGLN2TGFBR1HSD11B1GABRG2GABRB3
SCHEMBL15639873 0.79 PDE4A (0.37) EGLN2EGFRKDRTGFBR1SLC6A2
SCHEMBL15639331 0.77 MAP4K4 (0.39) EGLN2EGFRKDRTGFBR1GABRG2
SCHEMBL15637370 0.76 EGLN2 (0.49) EGLN2TGFBR1HSD11B1TSHR

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 EGLN2 657/4885EGFR 41/4885KDR 147/4885

“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.