SCHEMBL5204565

SCHEMBL5204565

COc1cc(-c2ccc(C(C)(N)CN(C)CC(C)(N)c3ccc(-c4cc(OC)c(OC)c(OC)c4)nc3)cn2)cc(OC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
TDO2 P48775 1/20 0.39
FYN P06241 7/20 0.38
BRD4 O60885 2/20 0.37
NEK2 P51955 2/20 0.36
RAB9A P51151 1/20 0.35
GAK O14976 1/20 0.35
RIPK2 O43353 1/20 0.35
STK16 O75716 1/20 0.35
EGFR P00533 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
BMP2K Q9NSY1 1/20 0.35
NLK Q9UBE8 1/20 0.35
IRAK3 Q9Y616 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
Hydrochloric Acid SCHEMBL5208243 0.99 HSP90AA1 (0.40) HSP90AA1HSP90AB1TDO2FYNBRD4
SCHEMBL5207116 0.88 HSP90AA1 (0.39) HSP90AA1HSP90AB1TDO2FYNBRD4
SCHEMBL5203320 0.78 KDM1A (0.33) HSP90AA1HSP90AB1TDO2FYNNEK2
Hydrochloric Acid SCHEMBL5208557 0.77 KDM1A (0.33) HSP90AA1HSP90AB1TDO2GAKRIPK2
SCHEMBL5208327 0.75 FYN (0.40) HSP90AA1HSP90AB1FYNBRD4NEK2
SCHEMBL5204525 0.72 FYN (0.41) FYNBRD4
SCHEMBL5208478 0.71 FYN (0.55) FYNBRD4NEK2
SCHEMBL5207852 0.71 FYN (0.43) FYNBRD4NEK2RAB9A
SCHEMBL5204558 0.71 FYN (0.40) FYNBRD4NEK2RAB9A
SCHEMBL2448017 0.71 FYN (0.53) FYNBRD4GAK

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 HSP90AA1 3829/4885HSP90AB1 2989/4885TDO2 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.