SCHEMBL15638173

SCHEMBL15638173

Nc1cnc(-c2cccc(C3CC3)c2)c(-c2ccc3[nH]ncc3c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 4/20 0.43
▸ CDK5 Q00535 3/20 0.43
▸ DYRK1A Q13627 3/20 0.43
▸ ROCK1 Q13464 3/20 0.43
▸ GSK3B P49841 3/20 0.43
▸ PIM1 P11309 3/20 0.43
▸ AURKB Q96GD4 3/20 0.43
▸ MAPKAPK2 P49137 2/20 0.43
▸ KDR P35968 2/20 0.43
▸ DYRK3 O43781 2/20 0.43
▸ CLK2 P49760 2/20 0.43
▸ CLK4 Q9HAZ1 2/20 0.43
▸ DAPK3 O43293 2/20 0.43
▸ PRKCG P05129 2/20 0.43
▸ CDK1 P06493 2/20 0.43
▸ PRKACA P17612 2/20 0.43
▸ CDK2 P24941 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ AKT1 P31749 2/20 0.43
▸ AKT2 P31751 2/20 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
SCHEMBL30117430 0.85 TGFBR1 (0.58) ROCK2CDK5DYRK1AROCK1GSK3B
SCHEMBL15639428 0.85 TGFBR1 (0.58) ROCK2CDK5DYRK1AROCK1GSK3B
SCHEMBL15637893 0.84 CDK5 (0.44) ROCK2CDK5DYRK1AROCK1GSK3B
SCHEMBL15638460 0.81 ROCK2 (0.48) ROCK2CDK5DYRK1AROCK1GSK3B
SCHEMBL15639153 0.81 ROCK2 (0.42) ROCK2CDK5DYRK1AROCK1GSK3B
SCHEMBL15639122 0.80 TRPA1 (0.51) ROCK2CDK5DYRK1AROCK1GSK3B
SCHEMBL15639962 0.77 NPY1R (0.43) ROCK2CDK5DYRK1AROCK1GSK3B
SCHEMBL18712023 0.76 ROCK2 (0.42) ROCK2ROCK1GSK3BPIM1CLK4
SCHEMBL17177309 0.75 DHODH (0.33) —
SCHEMBL15637975 0.75 TGFBR1 (0.51) ROCK2ROCK1MAPKAPK2TRPA1TGFBR1

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 ROCK2 500/4885CDK5 999/4885DYRK1A 4041/4885
US-10233170-B2 2,3-disubstituted pyridine compounds as TGF-beta inhibitors and methods of use TGFBR1, TGFBR2, ACVR1 ROCK2 416/4885CDK5 141/4885DYRK1A 3406/4885
US-10858335-B2 2,3-Disubstituted pyridine compounds as TGF-β inhibitors and methods of use SMAD3, TGFBR1, TGFBR2 ROCK2 202/4885CDK5 140/4885DYRK1A 2300/4885
US-20190284155-A1 2,3-Disubstituted Pyridine Compounds as TGF-Beta Inhibitors and Methods of Use TGFBR2, ACVR1, TGFBR1 ROCK2 267/4885CDK5 127/4885DYRK1A 2482/4885

“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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