SCHEMBL5203564

SCHEMBL5203564

COc1cc(-c2ccc(N(C)CCN(C)c3ccc(-c4cc(OC)c(C)c(OC)c4)nc3)cn2)cc(OC)c1C.CS(=O)(=O)O.CS(=O)(=O)O

nearest known ligand 0.35

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 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
FYN P06241 4/20 0.34
MELK Q14680 3/20 0.34
CHEK2 O96017 1/20 0.33
GAA P10253 1/20 0.33
FGFR4 P22455 1/20 0.33
FGFR1 P11362 1/20 0.33
KDM1A O60341 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
BPTF Q12830 1/20 0.33
GRK5 P34947 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
SCHEMBL5210909 0.91 KDM1A (0.37) MAPTFYNCHEK2FGFR4FGFR1
SCHEMBL5208394 0.91 MELK (0.40) IDO1TDO2FYNMELKGRK5
SCHEMBL5202996 0.91 FYN (0.41) MAPTFYN
SCHEMBL5208977 0.89 KDM1A (0.41) IDO1TDO2FYNMELKFGFR4
SCHEMBL5210532 0.89 FGFR1 (0.40) IDO1TDO2FYNMELKFGFR4
SCHEMBL5208926 0.87 FLT1 (0.35) IDO1TDO2FYNMELKFGFR1
SCHEMBL5208568 0.87 CYP1A1 (0.37) MAPTFYNGAAFGFR1MEN1
SCHEMBL5210798 0.87 KMT2A (0.35) MAPTIDO1TDO2FYNMELK
SCHEMBL5206154 0.86 HSP90AA1 (0.36) MAPTIDO1TDO2FYNMELK
SCHEMBL5209121 0.86 MELK (0.39) IDO1TDO2FYNMELKGRK5

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-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
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 MAPT 1013/4885IDO1 10/4885TDO2 304/4885

“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.