SCHEMBL5237016

SCHEMBL5237016

COc1cc(-c2ccc(N3CCCN(c4ccc(-c5cc(O)c(OC)c(OC)c5)cn4)CC3)nc2)cc(O)c1OC.CS(=O)(=O)O.CS(=O)(=O)O

nearest known ligand 0.49

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
EGFR known ✓ P00533 1/20 0.43
ZAP70 P43403 8/20 0.49
ERN1 O75460 1/20 0.49
FYN P06241 2/20 0.48
KDM4E B2RXH2 1/20 0.44
PRKD3 O94806 1/20 0.43
PRKCG P05129 1/20 0.43
PRKCB P05771 1/20 0.43
LCK P06239 1/20 0.43
PRKCA P17252 1/20 0.43
PRKCH P24723 1/20 0.43
PRKCI P41743 1/20 0.43
PRKCE Q02156 1/20 0.43
PRKCQ Q04759 1/20 0.43
PRKCZ Q05513 1/20 0.43
PRKCD Q05655 1/20 0.43
PRKD1 Q15139 1/20 0.43
MAP4K1 Q92918 3/20 0.43
IL2 P60568 2/20 0.43
ACVR1B P36896 1/20 0.40

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
SCHEMBL5232609 0.93 ZAP70 (0.55) ZAP70ERN1FYNKDM4EPRKD3
SCHEMBL5232807 0.93 ERN1 (0.52) ZAP70ERN1FYNKDM4EPRKD3
SCHEMBL5623507 0.90 ZAP70 (0.54) ZAP70ERN1FYNPRKD3EGFR
SCHEMBL5623699 0.87 ERN1 (0.50) ZAP70ERN1FYNKDM4EPRKD3
SCHEMBL5235457 0.86 ZAP70 (0.46) ZAP70ERN1FYNPRKD3EGFR
SCHEMBL5624157 0.86 ERN1 (0.49) ZAP70ERN1FYNMAP4K1IL2
SCHEMBL5235053 0.85 ZAP70 (0.56) ZAP70ERN1FYNPRKD3EGFR
SCHEMBL5237013 0.85 ZAP70 (0.51) ZAP70ERN1FYNPRKD3EGFR
SCHEMBL5238592 0.84 ZAP70 (0.45) ZAP70ERN1FYNKDM4EPRKD3
SCHEMBL5236892 0.84 ERN1 (0.48) ZAP70ERN1FYNMAP4K1IL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1403250-B1 BIS(5-ARYL-2-PYRIDYL) DERIVATIVE KOWA CO (JP) 2007-07-18 EP disclosed
US-7196101-B2 Bis(5-aryl-2-pyridyl) compound having excellent immunoglobulin (IgE) antibody production inhibiting activity, useful for the prevention or treatment of allergic immune diseases KOWA CO., LTD (JP) 2007-03-27 US disclosed
US-20050101634-A1 Bis(5-aeyl-2-pyridyl) derivatives KOWA CO., LTD. (JP) 2005-05-12 US disclosed
EP-1403250-A1 BIS(5-ARYL-2-PYRIDYL) DERIVATIVE Kowa Co., Ltd. (JP) 2004-03-31 EP disclosed
US-6706703-B2 BIS(5-ARYL-2-PYRIDYL) COMPOUND HAVING EXCELLENT IMMUNOGLOBULIN (IGE) ANTIBODY PRODUCTION INHIBITING ACTIVITY, USEFUL FOR THE PREVENTION OR TREATMENT OF ALLERGIC IMMUNE DISEASES KOWA CO., LTD. (JP) 2004-03-16 US disclosed
US-20030027814-A1 Bis(5-aryl-2-pyridyl) derivatives KOWA CO., LTD. (JP) 2003-02-06 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 (2 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-20050101634-A1 Bis(5-aeyl-2-pyridyl) derivatives H1-0, BRD4, PAH EGFR 392/4885ZAP70 2480/4885ERN1 3002/4885
US-20030027814-A1 Bis(5-aryl-2-pyridyl) derivatives AHR, PAH, H1-0 EGFR 545/4885ZAP70 3023/4885ERN1 3408/4885

“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.