SCHEMBL20575462

SCHEMBL20575462

Cc1cccc(N2C=C3CCCN3C2c2ccc3nccn3c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.37
TGFBR2 P37173 1/20 0.37
FASN P49327 2/20 0.37
MAPT P10636 4/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.33
ALOX5 P09917 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GFER P55789 2/20 0.31
RXRA P19793 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
MAP3K12 Q12852 1/20 0.31
CREBBP Q92793 1/20 0.30
TP53 P04637 2/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 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
SCHEMBL20575368 0.89 MAPT (0.35) FASNMAPTTSHRSMN1; SMN2ALOX5
SCHEMBL20575480 0.89 FASN (0.35) TGFBR1FASNALOX5RXRAGRIN1
SCHEMBL20575894 0.85 FASN (0.39) TGFBR1FASN
SCHEMBL20575907 0.85 TGFBR1 (0.37) TGFBR1FASN
SCHEMBL20575522 0.83 FASN (0.38) TGFBR1FASN
SCHEMBL20575356 0.82 GRM2 (0.41) TGFBR1FASNRXRAGRIN1GRIN2B
SCHEMBL20575626 0.80 FASN (0.38) TGFBR1FASN
SCHEMBL20575609 0.80 FASN (0.35) TGFBR1FASN
SCHEMBL20575463 0.77 FASN (0.35) TGFBR1FASN
SCHEMBL20575554 0.69 NPC1 (0.38) TGFBR1MAPTTSHRSMN1; SMN2ALOX5

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 TGFBR1 1/4885TGFBR2 2/4885FASN 3875/4885

“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.