SCHEMBL15639769

SCHEMBL15639769

Cc1cccc(-c2ncccc2-c2ccc3ncn(CCCO)c3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 7/20 0.46
MAP3K20 Q9NYL2 4/20 0.46
TGFBR2 P37173 3/20 0.46
HCRTR2 O43614 4/20 0.39
HCRTR1 O43613 2/20 0.39
PRPS1 P60891 1/20 0.39
GRIN2B Q13224 4/20 0.38
CDK9 P50750 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
FRK P42685 1/20 0.37
MAPK9 P45984 1/20 0.37
CSNK1A1 P48729 1/20 0.37
CSNK1D P48730 1/20 0.37
GSK3B P49841 1/20 0.37
PRKD2 Q9BZL6 1/20 0.37
MAP4K5 Q9Y4K4 1/20 0.37
GRIN1 Q05586 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP11B1 P15538 1/20 0.37

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
SCHEMBL16473341 0.91 LMNA (0.45) TGFBR1MAP3K20TGFBR2HCRTR2HCRTR1
SCHEMBL19661455 0.89 TGFBR1 (0.40) TGFBR1MAP3K20TGFBR2HCRTR2HCRTR1
SCHEMBL17122092 0.87 TGFBR1 (0.39) TGFBR1MAP3K20TGFBR2HCRTR2HCRTR1
SCHEMBL30117708 0.86 MAPK13 (0.39) TGFBR1MAP3K20TGFBR2HCRTR2HCRTR1
SCHEMBL15639847 0.86 MAPK13 (0.39) TGFBR1MAP3K20TGFBR2HCRTR2HCRTR1
SCHEMBL15639733 0.86 TGFBR1 (0.41) TGFBR1TGFBR2GRIN2BGRIN1ALDH1A1
SCHEMBL15639942 0.86 GRIN2B (0.45) TGFBR1MAP3K20TGFBR2PRPS1GRIN2B
SCHEMBL30117547 0.86 GRIN2B (0.45) TGFBR1MAP3K20TGFBR2PRPS1GRIN2B
SCHEMBL30117889 0.85 TGFBR1 (0.45) TGFBR1MAP3K20TGFBR2GRIN2B
SCHEMBL15639946 0.85 TGFBR1 (0.45) TGFBR1MAP3K20TGFBR2GRIN2B

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 10 patents. 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
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
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-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-20170342048-A1 GDF-8 Inhibitors MIDCAP FINANCIAL TRUST 2017-11-30 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 128/4885MAP3K20 1771/4885TGFBR2 112/4885
US-10233170-B2 2,3-disubstituted pyridine compounds as TGF-beta inhibitors and methods of use TGFBR1, TGFBR2, ACVR1 TGFBR1 1/4885MAP3K20 378/4885TGFBR2 2/4885
US-20170342048-A1 GDF-8 Inhibitors MSTN, MYOF, CXCL8 TGFBR1 128/4885MAP3K20 1771/4885TGFBR2 112/4885
US-10858335-B2 2,3-Disubstituted pyridine compounds as TGF-β inhibitors and methods of use SMAD3, TGFBR1, TGFBR2 TGFBR1 2/4885MAP3K20 252/4885TGFBR2 3/4885
US-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use TGFBR2, ACVR1, TGFBR1 TGFBR1 3/4885MAP3K20 359/4885TGFBR2 1/4885

“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.