SCHEMBL20575368

SCHEMBL20575368

COc1cccc(N2C=C3CCCN3C2c2ccc3nccn3c2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
NPC1 O15118 1/20 0.35
NAMPT P43490 1/20 0.35
NOTUM Q6P988 1/20 0.34
WDR5 P61964 1/20 0.34
FASN P49327 2/20 0.34
ALOX5 P09917 1/20 0.34
ADRA1A P35348 1/20 0.34
ESR1 P03372 1/20 0.33
ALDH1A1 P00352 2/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
TSHR P16473 1/20 0.31
TRIM33 Q9UPN9 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
SCHEMBL20575462 0.89 TGFBR1 (0.37) MAPTNPC1FASNALOX5ALDH1A1
SCHEMBL20575480 0.87 FASN (0.35) FASNALOX5ESR1
SCHEMBL20575907 0.82 TGFBR1 (0.37) FASN
SCHEMBL20575894 0.81 FASN (0.39) FASN
SCHEMBL20575554 0.81 NPC1 (0.38) MAPTNPC1NOTUMALOX5ALDH1A1
SCHEMBL20575356 0.79 GRM2 (0.41) FASN
SCHEMBL20575522 0.79 FASN (0.38) FASN
SCHEMBL20575609 0.77 FASN (0.35) FASN
SCHEMBL20575626 0.76 FASN (0.38) FASN
SCHEMBL20575463 0.75 FASN (0.35) FASNESR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10696693-B2 Fused imidazole derivatives as TGF-beta inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2020-06-30 US disclosed
US-20180346487-A1 Fused Imidazole Derivatives as TGF-Beta Inhibitors MIDCAP FINANCIAL TRUST 2018-12-06 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 (2 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-10696693-B2 Fused imidazole derivatives as TGF-beta inhibitors TGFBR1, TGFBR2, SMAD3 MAPT 1420/4885NPC1 2316/4885NAMPT 1133/4885
US-20180346487-A1 Fused Imidazole Derivatives as TGF-Beta Inhibitors TGFBR1, TGFBR2, SMAD3 MAPT 1420/4885NPC1 2316/4885NAMPT 1133/4885

“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.