SCHEMBL21363870

SCHEMBL21363870

Fc1ccc(-c2ncccc2-c2cn3ncnc3cc2Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 6/20 0.40
KDR P35968 3/20 0.39
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
EGFR P00533 2/20 0.37
EGLN2 Q96KS0 2/20 0.36
KMO O15229 1/20 0.36
CYP11B2 P19099 1/20 0.34
KCNH2 Q12809 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
MAPK14 Q16539 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
SCHEMBL15638088 0.90 TGFBR1 (0.40) TGFBR1KDRSLC6A2SLC6A4SLC6A3
SCHEMBL21363867 0.90 KMO (0.39) TGFBR1KDRSLC6A2SLC6A4SLC6A3
SCHEMBL15640064 0.87 SLC6A2 (0.45) TGFBR1KDRSLC6A2SLC6A4SLC6A3
SCHEMBL21363871 0.86 EGLN2 (0.43) TGFBR1KDREGLN2
SCHEMBL21363868 0.85 EGLN2 (0.39) TGFBR1KDRSLC6A2SLC6A4SLC6A3
SCHEMBL15640070 0.84 TGFBR1 (0.42) TGFBR1KDREGFREGLN2KMO
SCHEMBL15638028 0.81 TGFBR1 (0.54) TGFBR1KDRKMOCYP11B2
SCHEMBL15637970 0.80 PDE4A (0.38) TGFBR1KDRSLC6A2SLC6A4SLC6A3
SCHEMBL15639358 0.80 KDR (0.47) TGFBR1KDRSLC6A2SLC6A4SLC6A3
SCHEMBL21363872 0.79 SLC6A2 (0.38) TGFBR1KDRSLC6A2SLC6A4SLC6A3

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 TGFBR1 3/4885KDR 147/4885SLC6A2 3684/4885

“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.