SCHEMBL5206154

SCHEMBL5206154

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

nearest known ligand 0.36

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
FLT1 known ✓ P17948 2/20 0.35
FLT4 known ✓ P35916 2/20 0.35
KDR known ✓ P35968 2/20 0.35
HSP90AA1 P07900 4/20 0.36
HSP90AB1 P08238 4/20 0.36
KDM4E B2RXH2 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HPGD P15428 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MELK Q14680 2/20 0.33
FYN P06241 1/20 0.32
OXTR P30559 1/20 0.32
BRD4 O60885 1/20 0.32
IDO1 P14902 1/20 0.32

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
SCHEMBL5206832 0.92 KDM4E (0.38) KDM4ERXFP1HPGDCYP1A2CYP3A4
SCHEMBL5208394 0.86 MELK (0.40) MELKFYNIDO1TDO2
SCHEMBL5203564 0.86 MAPT (0.35) RXFP1MAPTMELKFYNIDO1
SCHEMBL5202996 0.86 FYN (0.41) MAPTALDH1A1FYNBRD4
SCHEMBL5208977 0.85 KDM1A (0.41) FLT1FLT4KDRMELKFYN
SCHEMBL5210532 0.85 FGFR1 (0.40) FLT1FLT4KDRALDH1A1MELK
SCHEMBL5208926 0.83 FLT1 (0.35) FLT1FLT4KDRMELKFYN
SCHEMBL5208568 0.83 CYP1A1 (0.37) KDM4ECYP1A2CYP2D6MAPTALDH1A1
SCHEMBL5210798 0.83 KMT2A (0.35) HPGDMAPTALDH1A1MELKFYN
SCHEMBL5209121 0.82 MELK (0.39) MELKFYNIDO1TDO2

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 FLT1 820/4885FLT4 1905/4885KDR 2181/4885

“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.