SCHEMBL5203692

SCHEMBL5203692

COCCOc1c(OC)cc(-c2ccc(N(C)CCN(C)c3ccc(-c4cc(OC)c(OCCOC)c(OC)c4)nc3)cn2)cc1OC.CS(=O)(=O)O.CS(=O)(=O)O

nearest known ligand 0.37

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 16)

geneUniProtsupporting neighboursconfidence
TNFRSF1A P19438 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CASR P41180 2/20 0.35
FYN P06241 4/20 0.34
HRH3 Q9Y5N1 1/20 0.34
MELK Q14680 1/20 0.33
CYP1A2 P05177 1/20 0.33
PDE4B Q07343 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVR1 Q04771 1/20 0.33
SLC6A5 Q9Y345 1/20 0.33
FGFR1 P11362 1/20 0.33

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
SCHEMBL5203389 0.92 HRH3 (0.38) TNFRSF1AALDH1A1CASRFYNHRH3
SCHEMBL5210597 0.92 HRH3 (0.38) ALDH1A1FYNHRH3MELKSLC6A5
SCHEMBL5202996 0.90 FYN (0.41) ALDH1A1FYNJAK2JAK1TYK2
SCHEMBL5208568 0.89 CYP1A1 (0.37) ALDH1A1FYNCYP1A2JAK2JAK1
SCHEMBL6594542 0.86 FYN (0.39) CASRFYNJAK2JAK1TYK2
SCHEMBL5210353 0.86 PIK3CD (0.35) ALDH1A1CASRFYNHRH3CYP1A2
SCHEMBL5206043 0.86 FYN (0.40) CASRFYNJAK2JAK1TYK2
SCHEMBL5208394 0.85 MELK (0.40) FYNMELK
SCHEMBL5203564 0.85 MAPT (0.35) FYNMELKFGFR1
SCHEMBL5207081 0.85 CYP17A1 (0.39) FYNCYP1A2PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1403251-B1 BIS(2-ARYL-5-PYRIDYL) DERIVATIVE KOWA CO (JP) 2007-07-18 EP disclosed
US-6890940-B2 Bis(2-aryl-5-pyridyl) derivatives KOWA CO., LTD. (JP) 2005-05-10 US disclosed
EP-1403251-A1 BIS(2-ARYL-5-PYRIDYL) DERIVATIVE Kowa Co., Ltd. (JP) 2004-03-31 EP disclosed
US-20030022886-A1 Immoglobulin E (IgE) antibody production inhibitor; treating allergic immune diseases such as asthma, dermatitis, inflammatory bowel disease and allergic opthalmopathy KOWA CO., LTD. (JP) 2003-01-30 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-20030022886-A1 Immoglobulin E (IgE) antibody production inhibitor; treating allergic immune diseases such as asthma, dermatitis, inflammatory bowel disease and allergic opthalmopathy IGLV6-57, IL5, IGSF11 TNFRSF1A 192/4885ALDH1A1 2780/4885CASR 4856/4885

“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.