SCHEMBL5126429

SCHEMBL5126429

CS(=O)(=O)O.Cc1cc(-c2nc3cccnn3c2-c2ccnc(NC(=O)c3ccc(Cl)cc3)c2)ccc1F

nearest known ligand 0.85

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 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.85
MAPK13 O15264 18/20 0.85
MAPK12 P53778 18/20 0.85
MAPK11 Q15759 18/20 0.85
PDE4B Q07343 1/20 0.46
PDE4D Q08499 1/20 0.46

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
SCHEMBL5111966 0.97 MAPK14 (0.90) MAPK14MAPK13MAPK12MAPK11PDE4B
Hydrochloric Acid SCHEMBL5119880 0.96 MAPK14 (0.89) MAPK14MAPK13MAPK12MAPK11PDE4B
SCHEMBL14131938 0.92 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5114976 0.92 MAPK14 (0.90) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5121006 0.91 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL14131620 0.90 MAPK14 (0.84) MAPK14MAPK13MAPK12MAPK11PDE4B
SCHEMBL5112915 0.90 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5119480 0.90 MAPK14 (0.86) MAPK14MAPK13MAPK12MAPK11PDE4B
SCHEMBL5120072 0.89 MAPK14 (0.83) MAPK14MAPK13MAPK12MAPK11PDE4B
SCHEMBL5119383 0.89 MAPK14 (0.87) MAPK14MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167314-A1 Condensed Imidazole Compound And Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-07-10 US disclosed
EP-1832588-A1 CONDENSED IMIDAZOLE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-09-12 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 (1 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-20080167314-A1 Condensed Imidazole Compound And Use Thereof MAPK13, MMP13, MAPK3 MAPK14 5/4885MAPK13 1/4885MAPK12 9/4885

“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.