SCHEMBL15638617

SCHEMBL15638617

Cc1cc(-c2ncc(NC3CC3)cc2-c2ccc3[nH]ncc3c2)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 1/20 0.47
▸ TGFBR1 P36897 4/20 0.46
▸ TRPA1 O75762 5/20 0.44
▸ ROCK2 O75116 7/20 0.42
▸ PIM1 P11309 4/20 0.42
▸ GSK3B P49841 3/20 0.42
▸ AURKB Q96GD4 3/20 0.42
▸ ROCK1 Q13464 3/20 0.42
▸ CDC7 O00311 1/20 0.42
▸ DAPK3 O43293 1/20 0.42
▸ DYRK3 O43781 1/20 0.42
▸ PRKD3 O94806 1/20 0.42
▸ PRKCG P05129 1/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ FES P07332 1/20 0.42
▸ PRKACA P17612 1/20 0.42
▸ RPS6KB1 P23443 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ AKT1 P31749 1/20 0.42

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
SCHEMBL15638792 0.82 TGFBR1 (0.46) MAPK14TGFBR1TRPA1ROCK2ROCK1
SCHEMBL15638351 0.82 ROCK1 (0.52) MAPK14TGFBR1TRPA1ROCK2ROCK1
SCHEMBL15639196 0.82 TGFBR1 (0.53) TGFBR1TRPA1GSK3BDYRK3CLK2
SCHEMBL15639504 0.82 TGFBR1 (0.53) TGFBR1TRPA1ROCK2PIM1GSK3B
SCHEMBL15639499 0.82 TGFBR1 (0.53) TGFBR1TRPA1ROCK2GSK3BAURKB
SCHEMBL15637975 0.80 TGFBR1 (0.51) TGFBR1TRPA1ROCK2ROCK1
SCHEMBL30117441 0.80 TGFBR1 (0.51) TGFBR1TRPA1ROCK2ROCK1
SCHEMBL15639865 0.79 TGFBR1 (0.49) TGFBR1TRPA1ROCK2ROCK1
SCHEMBL15639722 0.77 TGFBR1 (0.72) TGFBR1TRPA1ROCK2PIM1GSK3B
SCHEMBL15638967 0.77 TGFBR1 (0.48) TGFBR1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2903978-A1 GDF-8 INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2015-08-12 — — EP 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
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
US-10233170-B2 2,3-disubstituted pyridine compounds as TGF-beta inhibitors and methods of use RIGEL PHARMACEUTICALS, INC. (US) 2019-03-19 — — US disclosed
US-10233170-B2 2,3-disubstituted pyridine compounds as TGF-beta inhibitors and methods of use RIGEL PHARMACEUTICALS, INC. (US) 2019-03-19 — — US disclosed
US-9878992-B2 GDF-8 inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2018-01-30 — — US disclosed
WO-2015157093-A1 2,3-DISUBSTITUTED PYRIDINE COMPOUNDS AS TGF-BETA INHIBITORS AND METHODS OF USE RIGEL PHARMACEUTICALS, INC. (US) 2015-10-15 — — WO 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
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
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
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 (4 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 MAPK14 2533/4885TGFBR1 128/4885TRPA1 4474/4885
US-10233170-B2 2,3-disubstituted pyridine compounds as TGF-beta inhibitors and methods of use TGFBR1, TGFBR2, ACVR1 MAPK14 973/4885TGFBR1 1/4885TRPA1 4073/4885
US-10858335-B2 2,3-Disubstituted pyridine compounds as TGF-β inhibitors and methods of use SMAD3, TGFBR1, TGFBR2 MAPK14 1272/4885TGFBR1 2/4885TRPA1 4082/4885
US-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use TGFBR2, ACVR1, TGFBR1 MAPK14 1569/4885TGFBR1 3/4885TRPA1 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.

Send feedback