SCHEMBL5208370

SCHEMBL5208370

COc1cccc(-c2ccc(N(C)CCN(C)c3ccc(-c4cccc(OC)c4OC)nc3)cn2)c1OC.CS(=O)(=O)O.CS(=O)(=O)O

nearest known ligand 0.41

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
BCL2L1 known ✓ Q07817 1/20 0.38
MCL1 known ✓ Q07820 1/20 0.38
ADORA3 P0DMS8 2/20 0.41
ADORA2A P29274 2/20 0.41
ADORA2B P29275 2/20 0.41
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 3/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPK1 P28482 1/20 0.38
GAA P10253 1/20 0.38
BAK1 Q16611 1/20 0.38
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
FYN P06241 1/20 0.36
CYP11B1 P15538 1/20 0.35

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
SCHEMBL5207383 0.92 CYP11B1 (0.40) ADORA3ADORA2AADORA2BALDH1A1SMN1; SMN2
SCHEMBL5204232 0.87 HTR7 (0.42) ALDH1A1SMN1; SMN2KDM4EHTTTP53
SCHEMBL5202996 0.82 FYN (0.41) ADORA3ALDH1A1MAPTMAPK1MCL1
SCHEMBL5204365 0.81 TLR9 (0.42) ADORA3TP53MAPTMAPK1POLB
SCHEMBL5209033 0.79 MTNR1A (0.38) ALDH1A1SMN1; SMN2HTTTP53GAA
SCHEMBL5206043 0.78 FYN (0.40) ADORA3FYNJAK2JAK1TYK2
SCHEMBL5208394 0.78 MELK (0.40) FYN
SCHEMBL5203564 0.78 MAPT (0.35) MAPTGAAFYN
SCHEMBL5208568 0.77 CYP1A1 (0.37) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL5204290 0.77 FYN (0.39) ADORA3FYNJAK2JAK1TYK2

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 BCL2L1 834/4885MCL1 3354/4885ADORA3 4742/4885

“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.