SCHEMBL20575480

SCHEMBL20575480

Fc1cccc(N2C=C3CCCN3C2c2ccc3nccn3c2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FASN P49327 2/20 0.35
KEAP1 Q14145 1/20 0.32
NTRK1 P04629 2/20 0.32
BACE1 P56817 1/20 0.32
ALOX5 P09917 1/20 0.32
RXRA P19793 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
TGFBR1 P36897 2/20 0.30
ESR1 P03372 1/20 0.30
JAK2 O60674 1/20 0.30
INSR P06213 1/20 0.30
LYN P07948 1/20 0.30
RET P07949 1/20 0.30
MET P08581 1/20 0.30
ROS1 P08922 1/20 0.30
FGR P09769 1/20 0.30
KIT P10721 1/20 0.30
FGFR4 P22455 1/20 0.30
FGFR3 P22607 1/20 0.30

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
SCHEMBL20575462 0.89 TGFBR1 (0.37) FASNALOX5RXRAGRIN1GRIN2B
SCHEMBL20575907 0.88 TGFBR1 (0.37) FASNBACE1TGFBR1
SCHEMBL20575368 0.87 MAPT (0.35) FASNALOX5ESR1
SCHEMBL20575356 0.85 GRM2 (0.41) FASNRXRAGRIN1GRIN2BTGFBR1
SCHEMBL20575894 0.84 FASN (0.39) FASNTGFBR1
SCHEMBL20575609 0.83 FASN (0.35) FASNBACE1TGFBR1
SCHEMBL20575659 0.80 ALOX5 (0.34) KEAP1NTRK1ALOX5RXRAGRIN1
SCHEMBL20575626 0.79 FASN (0.38) FASNTGFBR1
SCHEMBL20575522 0.78 FASN (0.38) FASNTGFBR1
SCHEMBL20575463 0.77 FASN (0.35) FASNTGFBR1ESR1RET

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-20180346487-A1 Fused Imidazole Derivatives as TGF-Beta Inhibitors MIDCAP FINANCIAL TRUST 2018-12-06 US claimed

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-20180346487-A1 Fused Imidazole Derivatives as TGF-Beta Inhibitors TGFBR1, TGFBR2, SMAD3 FASN 3875/4885KEAP1 1989/4885NTRK1 975/4885

“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.