SCHEMBL15639817

SCHEMBL15639817

CS(=O)(=O)Nc1cccc(-c2ncccc2-c2ccc3[nH]ncc3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 4/20 0.52
▸ ROCK2 O75116 5/20 0.46
▸ TRPA1 O75762 4/20 0.46
▸ ROCK1 Q13464 1/20 0.46
▸ RAF1 P04049 1/20 0.45
▸ BRAF P15056 1/20 0.45
▸ RPS6KB1 P23443 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ TYRO3 Q06418 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ PTK2 Q05397 1/20 0.43

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
SCHEMBL15640023 0.82 TGFBR1 (0.70) TGFBR1ROCK2TRPA1ROCK1RPS6KB1
SCHEMBL15638690 0.81 MAPK14 (0.47) TGFBR1ROCK2TRPA1ROCK1RPS6KB1
SCHEMBL15638586 0.80 TGFBR1 (0.62) TGFBR1ROCK2TRPA1ROCK1RPS6KB1
SCHEMBL15638789 0.80 TGFBR1 (0.54) TGFBR1TRPA1
SCHEMBL15639308 0.78 TGFBR1 (0.60) TGFBR1ROCK2TRPA1ROCK1ALDH1A1
SCHEMBL15639599 0.78 TGFBR1 (0.69) TGFBR1ROCK2TRPA1CLK4
SCHEMBL15639248 0.78 TGFBR1 (0.60) TGFBR1ROCK2TRPA1ROCK1RPS6KB1
SCHEMBL30117535 0.78 TGFBR1 (0.69) TGFBR1ROCK2TRPA1CLK4
SCHEMBL15638975 0.78 TGFBR1 (0.56) TGFBR1ROCK2TRPA1ROCK1CLK4
SCHEMBL30117513 0.78 TGFBR1 (0.56) TGFBR1ROCK2TRPA1ROCK1CLK4

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903978-B1 GDF-8 INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2022-12-07 — — EP claimed
CN-104837832-B GDF-8 inhibitors 里格尔药品股份有限公司 2019-04-26 — — CN claimed
EP-2903978-A1 GDF-8 INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2015-08-12 — — EP claimed
CN-104837832-A GDF-8 inhibitors RIGEL PHARMACEUTICALS INC 2015-08-12 — — CN claimed
US-20140107073-A1 GDF-8 Inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-04-17 — — US claimed
WO-2014055955-A1 GDF-8 INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2014-04-10 — — WO claimed
EP-2903978-B1 GDF-8 INHIBITORS RIGEL PHARMACEUTICALS INC (US) 2022-12-07 — — EP disclosed
US-10858335-B2 2,3-Disubstituted pyridine compounds as TGF-β inhibitors and methods of use RIGEL PHARMACEUTICALS, INC. (US) 2020-12-08 — — US disclosed
US-10858335-B2 2,3-Disubstituted pyridine compounds as TGF-β inhibitors and methods of use RIGEL PHARMACEUTICALS, INC. (US) 2020-12-08 — — US disclosed
CN-106536507-B 2, 3-disubstituted pyridine compounds as TGF- β inhibitors and methods of use thereof 里格尔药品股份有限公司 2020-04-07 — — CN disclosed
US-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use RIGEL PHARMACEUTICALS, INC. (US) 2019-09-19 — — US disclosed
US-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use RIGEL PHARMACEUTICALS, INC. (US) 2019-09-19 — — US disclosed
CN-104837832-B GDF-8 inhibitors 里格尔药品股份有限公司 2019-04-26 — — CN disclosed
US-9145433-B2 GDF-8 inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-09-29 — — US disclosed
US-9145433-B2 GDF-8 inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2015-09-29 — — US disclosed
EP-2903978-A1 GDF-8 INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2015-08-12 — — EP disclosed
CN-104837832-A GDF-8 inhibitors RIGEL PHARMACEUTICALS INC 2015-08-12 — — CN disclosed
US-20140107073-A1 GDF-8 Inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-04-17 — — US disclosed
US-20140107073-A1 GDF-8 Inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2014-04-17 — — US disclosed
WO-2014055955-A1 GDF-8 INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2014-04-10 — — 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 (3 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-20140107073-A1 GDF-8 Inhibitors MSTN, MYOF, CXCL8 TGFBR1 128/4885ROCK2 500/4885TRPA1 4474/4885
US-10858335-B2 2,3-Disubstituted pyridine compounds as TGF-β inhibitors and methods of use SMAD3, TGFBR1, TGFBR2 TGFBR1 2/4885ROCK2 202/4885TRPA1 4082/4885
US-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use TGFBR2, ACVR1, TGFBR1 TGFBR1 3/4885ROCK2 267/4885TRPA1 4202/4885

“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.

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