SCHEMBL15637893

SCHEMBL15637893

Nc1ccc(-c2ccc3[nH]ncc3c2)c(-c2cccc(C3CC3)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 2/20 0.44
▸ DYRK1A Q13627 2/20 0.44
▸ GSK3B P49841 2/20 0.44
▸ DYRK3 O43781 1/20 0.44
▸ CLK1 P49759 1/20 0.44
▸ CLK2 P49760 1/20 0.44
▸ CLK3 P49761 1/20 0.44
▸ CDK5R1 Q15078 1/20 0.44
▸ DYRK2 Q92630 1/20 0.44
▸ CLK4 Q9HAZ1 1/20 0.44
▸ DYRK1B Q9Y463 1/20 0.44
▸ ROCK2 O75116 2/20 0.44
▸ PIM1 P11309 2/20 0.44
▸ AURKB Q96GD4 2/20 0.44
▸ MAPKAPK2 P49137 2/20 0.44
▸ KDR P35968 2/20 0.44
▸ AURKA O14965 1/20 0.44
▸ CHUK O15111 1/20 0.44
▸ MAPK13 O15264 1/20 0.44
▸ DAPK3 O43293 1/20 0.44

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
SCHEMBL15638173 0.84 ROCK2 (0.43) CDK5DYRK1AGSK3BDYRK3CLK1
SCHEMBL30117430 0.83 TGFBR1 (0.58) CDK5DYRK1AGSK3BDYRK3CLK1
SCHEMBL15639428 0.83 TGFBR1 (0.58) CDK5DYRK1AGSK3BDYRK3CLK1
SCHEMBL15639974 0.82 TRPA1 (0.52) CDK5DYRK1AGSK3BDYRK3CLK1
SCHEMBL15638750 0.75 TGFBR1 (0.49) CDK5DYRK1AGSK3BDYRK3CLK1
SCHEMBL18306347 0.75 ADORA2B (0.34) TGFBR1
SCHEMBL15638153 0.74 TGFBR1 (0.52) MAPKAPK2TRPA1TGFBR1TRPM8
SCHEMBL30117459 0.74 TGFBR1 (0.52) MAPKAPK2TRPA1TGFBR1TRPM8
SCHEMBL15639153 0.74 ROCK2 (0.42) CDK5DYRK1AGSK3BDYRK3CLK2
SCHEMBL15638460 0.74 ROCK2 (0.48) CDK5DYRK1AGSK3BDYRK3CLK2

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 31 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
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-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 CDK5 999/4885DYRK1A 4041/4885GSK3B 1362/4885
US-10233170-B2 2,3-disubstituted pyridine compounds as TGF-beta inhibitors and methods of use TGFBR1, TGFBR2, ACVR1 CDK5 141/4885DYRK1A 3406/4885GSK3B 57/4885
US-10858335-B2 2,3-Disubstituted pyridine compounds as TGF-β inhibitors and methods of use SMAD3, TGFBR1, TGFBR2 CDK5 140/4885DYRK1A 2300/4885GSK3B 55/4885
US-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use TGFBR2, ACVR1, TGFBR1 CDK5 127/4885DYRK1A 2482/4885GSK3B 64/4885

“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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