SCHEMBL17767516

SCHEMBL17767516

Fc1ccccc1-c1nc2n(c1-c1ccc3nccnc3c1)CCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 9/20 0.52
MAP4K4 O95819 3/20 0.38
EGFR P00533 3/20 0.38
CSNK1D P48730 3/20 0.38
PRKD2 Q9BZL6 3/20 0.38
PRKD3 O94806 2/20 0.38
WDR5 P61964 1/20 0.38
TGFBR2 P37173 2/20 0.38
MAPK9 P45984 2/20 0.38
MINK1 Q8N4C8 1/20 0.38
KDR P35968 1/20 0.37
CLK2 P49760 1/20 0.37
GSK3A P49840 1/20 0.37
SLK Q9H2G2 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL17777997 0.89 TGFBR1 (0.53) TGFBR1MAP4K4EGFRCSNK1DPRKD2
SCHEMBL17767586 0.88 TGFBR1 (0.51) TGFBR1MAP4K4EGFRCSNK1DPRKD2
SCHEMBL17767687 0.88 TGFBR1 (0.50) TGFBR1WDR5TGFBR2KDM4EPDE10A
SCHEMBL17767652 0.88 TGFBR1 (0.47) TGFBR1MAP4K4EGFRCSNK1DPRKD2
SCHEMBL17767740 0.87 TGFBR1 (0.45) TGFBR1MAP4K4EGFRCSNK1DPRKD2
SCHEMBL17767668 0.87 TGFBR1 (0.47) TGFBR1MAP4K4EGFRCSNK1DPRKD2
SCHEMBL17767792 0.87 TGFBR1 (0.48) TGFBR1KDM4ETDP1USP2ALDH1A1
SCHEMBL17767504 0.86 TGFBR1 (0.44) TGFBR1MAP4K4EGFRCSNK1DPRKD2
SCHEMBL17767532 0.86 TGFBR1 (0.48) TGFBR1MAP4K4EGFRCSNK1DPRKD2
SCHEMBL17767676 0.85 TGFBR1 (0.49) TGFBR1MAP4K4EGFRCSNK1DPRKD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107207531-B Fused imidazole derivatives as TGF-beta inhibitors 里格尔药品股份有限公司 2021-05-25 CN claimed
US-10696693-B2 Fused imidazole derivatives as TGF-beta inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2020-06-30 US claimed
US-20180346487-A1 Fused Imidazole Derivatives as TGF-Beta Inhibitors MIDCAP FINANCIAL TRUST 2018-12-06 US claimed
US-10696693-B2 Fused imidazole derivatives as TGF-beta inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2020-06-30 US disclosed
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
EP-3221318-A1 FUSED IMIDAZOLE DERIVATIVES AS TGF-BETA INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2017-09-27 EP disclosed
WO-2016081364-A1 FUSED IMIDAZOLE DERIVATIVES AS TGF-BETA INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2016-05-26 WO 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 TGFBR1 1/4885MAP4K4 1799/4885EGFR 250/4885
US-20180346487-A1 Fused Imidazole Derivatives as TGF-Beta Inhibitors TGFBR1, TGFBR2, SMAD3 TGFBR1 1/4885MAP4K4 1799/4885EGFR 250/4885

“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.