SCHEMBL4060217

SCHEMBL4060217

CC(C)Cn1c(N)nc2ccc(-c3cn(C)nc3-c3ccccc3)nc21.CS(=O)(=O)O.CS(=O)(=O)O

nearest known ligand 0.60

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.60
DYRK1A Q13627 4/20 0.38
DYRK2 Q92630 4/20 0.38
CLK1 P49759 1/20 0.38
CSNK1D P48730 2/20 0.36
CSNK1E P49674 2/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL29437777 1.00 MAPK14 (0.60) MAPK14DYRK1ADYRK2CLK1CSNK1D
SCHEMBL4060075 0.91 MAPK14 (0.54) MAPK14DYRK1ACSNK1DCSNK1E
SCHEMBL29437747 0.91 MAPK14 (0.60) MAPK14DYRK1ADYRK2CLK1ALDH1A1
SCHEMBL29437797 0.84 MAPK14 (0.63) MAPK14DYRK1ADYRK2CLK1ALDH1A1
SCHEMBL4063872 0.84 MAPK14 (0.63) MAPK14DYRK1ADYRK2CLK1ALDH1A1
SCHEMBL28468307 0.83 MAPK14 (0.55) MAPK14DYRK1ADYRK2CLK1CSNK1E
SCHEMBL3994572 0.82 MAPK14 (0.54) MAPK14DYRK1ADYRK2CSNK1D
SCHEMBL4068133 0.80 MAPK14 (0.62) MAPK14DYRK1ADYRK2CLK1ALDH1A1
SCHEMBL29593596 0.77 MAPK14 (0.63) MAPK14DYRK1ADYRK2
SCHEMBL4063958 0.77 MAPK14 (0.63) MAPK14DYRK1ADYRK2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4159212-A1 P38 KINASE INHIBITORS REDUCE DUX4 AND DOWNSTREAM GENE EXPRESSION FOR THE TREATMENT OF FSHD Fulcrum Therapeutics, Inc. (US) 2023-04-05 EP disclosed
CN-114748622-A P38 kinase inhibitors reduce DUX4 and downstream gene expression for the treatment of FSHD 弗尔康医疗公司 2022-07-15 CN disclosed
CN-114732910-A P38 kinase inhibitor reduces DUX4 and downstream gene expression for treatment of FSHD 弗尔康医疗公司 2022-07-12 CN disclosed
US-20220133704-A1 P38 KINASE INHIBITORS REDUCE DUX4 AND DOWNSTREAM GENE EXPRESSION FOR THE TREATMENT OF FSHD FULCRUM THERAPEUTICS INC (US) 2022-05-05 US disclosed
CN-111601593-B P38 kinase inhibitor reduces DUX4 and downstream gene expression for treatment of FSHD 弗尔康医疗公司 2022-04-15 CN disclosed
US-11291659-B2 P38 kinase inhibitors reduce DUX4 and downstream gene expression for the treatment of FSHD Fulcrum Therapeutics, Inc. (US) 2022-04-05 US disclosed
US-20200383963-A1 P38 KINASE INHIBITORS REDUCE DUX4 AND DOWNSTREAM GENE EXPRESSION FOR THE TREATMENT OF FSHD Fulcrum Therapeutics, Inc. 2020-12-10 US disclosed
CN-111601593-A P38 kinase inhibitor reduces DUX4 and downstream gene expression for treatment of FSHD 弗尔康医疗公司 2020-08-28 CN disclosed
US-10342786-B2 P38 kinase inhibitors reduce DUX4 and downstream gene expression for the treatment of FSHD Fulcrum Therapeutics, Inc. (US) 2019-07-09 US disclosed
US-20190105312-A1 P38 KINASE INHIBITORS REDUCE DUX4 AND DOWNSTREAM GENE EXPRESSION FOR THE TREATMENT OF FSHD Fulcrum Therapeutics, Inc. 2019-04-11 US disclosed
US-20190105311-A1 P38 KINASE INHIBITORS REDUCE DUX4 AND DOWNSTREAM GENE EXPRESSION FOR THE TREATMENT OF FSHD Fulcrum Therapeutics, Inc. 2019-04-11 US disclosed
EP-1713805-B1 KINASE INHIBITORS LILLY CO ELI (US) 2009-06-10 EP 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 (6 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-20220133704-A1 P38 KINASE INHIBITORS REDUCE DUX4 AND DOWNSTREAM GENE EXPRESSION FOR THE TREATMENT OF FSHD ZFX, TBL1XR1, TRIM28 MAPK14 191/4885DYRK1A 1534/4885DYRK2 2455/4885
US-20200383963-A1 P38 KINASE INHIBITORS REDUCE DUX4 AND DOWNSTREAM GENE EXPRESSION FOR THE TREATMENT OF FSHD ZFX, TBL1XR1, RHOXF2 MAPK14 193/4885DYRK1A 1656/4885DYRK2 2409/4885
US-20190105311-A1 P38 KINASE INHIBITORS REDUCE DUX4 AND DOWNSTREAM GENE EXPRESSION FOR THE TREATMENT OF FSHD ZFX, TBL1XR1, TRIM28 MAPK14 196/4885DYRK1A 1807/4885DYRK2 2753/4885
US-20190105312-A1 P38 KINASE INHIBITORS REDUCE DUX4 AND DOWNSTREAM GENE EXPRESSION FOR THE TREATMENT OF FSHD ZFX, TBL1XR1, TRIM28 MAPK14 191/4885DYRK1A 1534/4885DYRK2 2455/4885
US-10342786-B2 P38 kinase inhibitors reduce DUX4 and downstream gene expression for the treatment of FSHD ZFX, TBL1XR1, TRIM28 MAPK14 191/4885DYRK1A 1534/4885DYRK2 2455/4885
US-11291659-B2 P38 kinase inhibitors reduce DUX4 and downstream gene expression for the treatment of FSHD ZFX, TBL1XR1, TRIM28 MAPK14 191/4885DYRK1A 1534/4885DYRK2 2455/4885

“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.