SCHEMBL1140580

SCHEMBL1140580

CS(=O)(=O)O.CS(=O)(=O)O.Cc1ccc(C(=O)NC2CC2)cc1-n1cnc2ccc(OCCN3CCCCC3)cc2c1=O

nearest known ligand 0.61

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 2)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.61
AVPR1B P47901 2/20 0.47

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
SCHEMBL1140548 1.00 MAPK14 (0.61) MAPK14AVPR1B
SCHEMBL1140587 0.97 MAPK14 (0.64) MAPK14AVPR1B
Hydrochloric Acid SCHEMBL1140377 0.96 MAPK14 (0.64) MAPK14AVPR1B
SCHEMBL1140402 0.96 MAPK14 (0.65) MAPK14AVPR1B
SCHEMBL1140310 0.95 MAPK14 (0.65) MAPK14AVPR1B
SCHEMBL1140470 0.94 MAPK14 (0.57) MAPK14AVPR1B
SCHEMBL1140057 0.93 MAPK14 (0.64) MAPK14AVPR1B
SCHEMBL1140458 0.92 MAPK14 (0.64) MAPK14AVPR1B
SCHEMBL1140718 0.90 MAPK14 (0.64) MAPK14
SCHEMBL1140062 0.90 MAPK14 (0.59) MAPK14AVPR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682520-B1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2011-02-23 EP disclosed
US-7750154-B2 Amide derivatives ASTRAZENECA AB (SE) 2010-07-06 US disclosed
US-20070043065-A1 Amide derivatives ASTRAZENECA AB (SE) 2007-02-22 US 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-20070043065-A1 Amide derivatives IL6, IL2, IL1B MAPK14 2518/4885AVPR1B 533/4885

“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.