SCHEMBL3994572

SCHEMBL3994572

CC(C)Cn1c(N)nc2ccc(-c3cn(C(C)C)nc3-c3ccc(F)cc3)nc21.CS(=O)(=O)O.CS(=O)(=O)O

nearest known ligand 0.54

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 20)

geneUniProtsupporting neighboursconfidence
FLT4 known ✓ P35916 1/20 0.40
BRAF known ✓ P15056 1/20 0.38
MAPK14 Q16539 15/20 0.54
PDE5A O76074 1/20 0.40
DYRK1A Q13627 3/20 0.40
DYRK3 O43781 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
ERBB2 P04626 1/20 0.40
PIM1 P11309 1/20 0.40
FGFR1 P11362 1/20 0.40
FRK P42685 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
CSNK1D P48730 1/20 0.40
LIMK1 P53667 1/20 0.40
MAP4K2 Q12851 1/20 0.40
CAMK2B Q13554 1/20 0.40
CAMK2G Q13555 1/20 0.40
CAMK2D Q13557 1/20 0.40

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
SCHEMBL28463734 0.94 MAPK14 (0.49) MAPK14PDE5ADYRK1ADYRK3PRKD3
SCHEMBL28468377 0.93 MAPK14 (0.52) MAPK14PDE5ADYRK1ADYRK3PRKD3
SCHEMBL4060075 0.91 MAPK14 (0.54) MAPK14PDE5ADYRK1ADYRK3PRKD3
SCHEMBL29437747 0.91 MAPK14 (0.60) MAPK14DYRK1ABRAFDYRK2
SCHEMBL4068536 0.91 MAPK14 (0.60) MAPK14DYRK1ABRAFDYRK2
SCHEMBL4067145 0.84 MAPK14 (0.58) MAPK14PDE5ADYRK1ADYRK3PRKD3
SCHEMBL28468307 0.84 MAPK14 (0.55) MAPK14DYRK1ACLK4CDK9DYRK2
SCHEMBL4060217 0.82 MAPK14 (0.60) MAPK14DYRK1ACSNK1DDYRK2
SCHEMBL29437777 0.82 MAPK14 (0.60) MAPK14DYRK1ACSNK1DDYRK2
SCHEMBL4072077 0.80 MAPK14 (0.50) MAPK14PDE5ADYRK1ADYRK3PRKD3

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 15 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
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
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
EP-3691620-A1 P38 KINASE INHIBITORS REDUCE DUX4 AND DOWNSTREAM GENE EXPRESSION FOR THE TREATMENT OF FSHD Fulcrum Therapeutics, Inc. (US) 2020-08-12 EP 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
WO-2019071147-A1 P38 KINASE INHIBITORS REDUCE DUX4 AND DOWNSTREAM GENE EXPRESSION FOR THE TREATMENT OF FSHD Fulcrum Therapeutics, Inc. (US) 2019-04-11 WO 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
US-20090318443-A1 KINASE INHIBITORS BONJOUKLIAN ROSANNE 2009-12-24 US disclosed
US-7582652-B2 Suppression cytokines, tumor necrosis factor; melanoma ELI LILLY AND COMPANY (US) 2009-09-01 US disclosed
EP-1713805-B1 KINASE INHIBITORS LILLY CO ELI (US) 2009-06-10 EP disclosed
US-20090036445-A1 KINASE INHIBITORS ELI LILLY AND COMPANY 2009-02-05 US disclosed
EP-1713805-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2006-10-25 EP disclosed
WO-2005075478-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2005-08-18 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 (8 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 FLT4 1799/4885BRAF 3584/4885MAPK14 191/4885
US-20200383963-A1 P38 KINASE INHIBITORS REDUCE DUX4 AND DOWNSTREAM GENE EXPRESSION FOR THE TREATMENT OF FSHD ZFX, TBL1XR1, RHOXF2 FLT4 1794/4885BRAF 3582/4885MAPK14 193/4885
US-20090036445-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 FLT4 638/4885BRAF 34/4885MAPK14 174/4885
US-20190105311-A1 P38 KINASE INHIBITORS REDUCE DUX4 AND DOWNSTREAM GENE EXPRESSION FOR THE TREATMENT OF FSHD ZFX, TBL1XR1, TRIM28 FLT4 1696/4885BRAF 3766/4885MAPK14 196/4885
US-20090318443-A1 KINASE INHIBITORS MAP3K20, MAP3K19, MAP3K1 FLT4 638/4885BRAF 34/4885MAPK14 174/4885
US-20190105312-A1 P38 KINASE INHIBITORS REDUCE DUX4 AND DOWNSTREAM GENE EXPRESSION FOR THE TREATMENT OF FSHD ZFX, TBL1XR1, TRIM28 FLT4 1799/4885BRAF 3584/4885MAPK14 191/4885
US-10342786-B2 P38 kinase inhibitors reduce DUX4 and downstream gene expression for the treatment of FSHD ZFX, TBL1XR1, TRIM28 FLT4 1799/4885BRAF 3584/4885MAPK14 191/4885
US-11291659-B2 P38 kinase inhibitors reduce DUX4 and downstream gene expression for the treatment of FSHD ZFX, TBL1XR1, TRIM28 FLT4 1799/4885BRAF 3584/4885MAPK14 191/4885

“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.