SCHEMBL17767752

SCHEMBL17767752

Fc1ccc(-c2nc3n(c2-c2ccc4nccnc4c2)CCC3)cc1F

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 10/20 0.48
TGFBR2 P37173 2/20 0.41
MGLL Q99685 1/20 0.38
PDE10A Q9Y233 2/20 0.37
CSNK1D P48730 3/20 0.37
CSNK1E P49674 3/20 0.37
MAPK14 Q16539 1/20 0.36
PIM1 P11309 1/20 0.36
CDK6 Q00534 1/20 0.36
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL17767676 0.92 TGFBR1 (0.49) TGFBR1TGFBR2PDE10ACSNK1DCSNK1E
SCHEMBL17767590 0.90 TGFBR1 (0.46) TGFBR1TGFBR2PDE10ACSNK1DCSNK1E
SCHEMBL17767549 0.90 TGFBR1 (0.46) TGFBR1TGFBR2PDE10ACSNK1DCSNK1E
SCHEMBL17767553 0.88 TGFBR1 (0.59) TGFBR1TGFBR2PDE10ACSNK1DCSNK1E
SCHEMBL17767652 0.87 TGFBR1 (0.47) TGFBR1TGFBR2PDE10ACSNK1DCSNK1E
SCHEMBL17767692 0.87 TGFBR1 (0.52) TGFBR1TGFBR2PDE10ACSNK1DCSNK1E
SCHEMBL17767543 0.86 TGFBR1 (0.52) TGFBR1TGFBR2PDE10ACSNK1DCSNK1E
SCHEMBL17767668 0.86 TGFBR1 (0.47) TGFBR1TGFBR2PDE10ACSNK1DCSNK1E
SCHEMBL17767687 0.85 TGFBR1 (0.50) TGFBR1TGFBR2PDE10APDE4BPDE4D
SCHEMBL17767422 0.85 TGFBR1 (0.47) TGFBR1TGFBR2PDE10ACSNK1DCSNK1E

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 9 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
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 1/4885TGFBR2 2/4885MGLL 4490/4885
US-20180346487-A1 Fused Imidazole Derivatives as TGF-Beta Inhibitors TGFBR1, TGFBR2, SMAD3 TGFBR1 1/4885TGFBR2 2/4885MGLL 4490/4885

“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.