SCHEMBL5236345

SCHEMBL5236345

COc1cc(-c2ccc(N3CCN(c4ccc(-c5cc(OC)c(OC)c(OC)c5)cn4)CC3)nc2)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 6/20 0.56
ERN1 O75460 1/20 0.54
PRKD3 O94806 1/20 0.52
EGFR P00533 1/20 0.52
PRKCG P05129 1/20 0.52
PRKCB P05771 1/20 0.52
LCK P06239 1/20 0.52
PRKCA P17252 1/20 0.52
PRKCH P24723 1/20 0.52
PRKCI P41743 1/20 0.52
PRKCE Q02156 1/20 0.52
PRKCQ Q04759 1/20 0.52
PRKCZ Q05513 1/20 0.52
PRKCD Q05655 1/20 0.52
PRKD1 Q15139 1/20 0.52
MAP4K1 Q92918 3/20 0.51
IL2 P60568 2/20 0.51
FYN P06241 1/20 0.50
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50

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
SCHEMBL5235053 0.96 ZAP70 (0.56) ZAP70ERN1PRKD3EGFRPRKCG
SCHEMBL5623507 0.91 ZAP70 (0.54) ZAP70ERN1PRKD3EGFRPRKCG
SCHEMBL5234898 0.90 ZAP70 (0.53) ZAP70ERN1PRKD3EGFRPRKCG
SCHEMBL3243299 0.89 SMN1; SMN2 (0.49) ZAP70ERN1ACVR1TLR9TLR8
SCHEMBL13136625 0.89 ZAP70 (0.52) ZAP70ERN1PRKD3EGFRPRKCG
SCHEMBL3243297 0.88 ZAP70 (0.47) ZAP70ERN1PRKD3EGFRPRKCG
SCHEMBL5232609 0.88 ZAP70 (0.55) ZAP70ERN1PRKD3EGFRPRKCG
SCHEMBL5230858 0.87 ACVR1 (0.48) ZAP70ERN1PRKD3EGFRPRKCG
SCHEMBL5232807 0.87 ERN1 (0.52) ZAP70ERN1PRKD3EGFRPRKCG
SCHEMBL5237013 0.86 ZAP70 (0.51) ZAP70ERN1PRKD3EGFRPRKCG

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 8 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-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-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 ZAP70 2480/4885ERN1 3002/4885PRKD3 4169/4885
US-20030027814-A1 Bis(5-aryl-2-pyridyl) derivatives AHR, PAH, H1-0 ZAP70 3023/4885ERN1 3408/4885PRKD3 4351/4885

“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.