SCHEMBL15639733

SCHEMBL15639733

CCn1cnc2ccc(-c3cccnc3-c3cccc(C)c3)cc21

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.41
GRIN2B Q13224 7/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
PRKCI P41743 2/20 0.39
MAPK14 Q16539 6/20 0.39
GRIN1 Q05586 1/20 0.38
TGFBR2 P37173 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
SCHEMBL16473341 0.89 LMNA (0.45) TGFBR1GRIN2BALDH1A1CYP11B1CYP11B2
SCHEMBL15639769 0.86 TGFBR1 (0.46) TGFBR1GRIN2BALDH1A1CYP11B1CYP11B2
SCHEMBL19661455 0.85 TGFBR1 (0.40) TGFBR1ALDH1A1CYP11B1CYP11B2PRKCI
SCHEMBL30117708 0.85 MAPK13 (0.39) TGFBR1GRIN2BALDH1A1MAPK14GRIN1
SCHEMBL15639847 0.85 MAPK13 (0.39) TGFBR1GRIN2BALDH1A1MAPK14GRIN1
SCHEMBL15640066 0.85 TGFBR1 (0.52) TGFBR1PRKCIMAPK14TGFBR2
SCHEMBL30117512 0.84 GRIN2B (0.49) TGFBR1GRIN2BGRIN1
SCHEMBL15639017 0.84 GRIN2B (0.49) TGFBR1GRIN2BGRIN1
SCHEMBL17122092 0.84 TGFBR1 (0.39) TGFBR1ALDH1A1CYP11B1CYP11B2PRKCI
SCHEMBL15639260 0.83 TGFBR1 (0.46) TGFBR1GRIN2BALDH1A1MAPK14TGFBR2

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 37 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
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
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
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-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 TGFBR1 128/4885GRIN2B 1027/4885ALDH1A1 4746/4885
US-10233170-B2 2,3-disubstituted pyridine compounds as TGF-beta inhibitors and methods of use TGFBR1, TGFBR2, ACVR1 TGFBR1 1/4885GRIN2B 2781/4885ALDH1A1 1028/4885
US-10858335-B2 2,3-Disubstituted pyridine compounds as TGF-β inhibitors and methods of use SMAD3, TGFBR1, TGFBR2 TGFBR1 2/4885GRIN2B 3049/4885ALDH1A1 2008/4885
US-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use TGFBR2, ACVR1, TGFBR1 TGFBR1 3/4885GRIN2B 3103/4885ALDH1A1 1958/4885

“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.