SCHEMBL5209830

SCHEMBL5209830

COc1cc(-c2ccc(N3CCN(c4ccc(-c5cc(OC)c(OC)c(OC)c5)nc4)CC3)cn2)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 13/20 0.52
ACVR1 Q04771 13/20 0.52
FYN P06241 1/20 0.52
ACVR1B P36896 5/20 0.51
KCNH2 Q12809 3/20 0.49
BMPR1A P36894 2/20 0.49
ACVRL1 P37023 2/20 0.49
RIPK2 O43353 1/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
CYP3A4 P08684 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49
BMPR1B O00238 1/20 0.48
ABL1 P00519 1/20 0.48
ADRA2A P08913 1/20 0.48
CNR1 P21554 1/20 0.48

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
SCHEMBL5207666 0.96 TGFBR1 (0.49) TGFBR1ACVR1FYNACVR1BKCNH2
SCHEMBL5203572 0.91 TGFBR1 (0.52) TGFBR1ACVR1FYNACVR1BKCNH2
SCHEMBL5205444 0.91 TGFBR1 (0.47) TGFBR1ACVR1FYNACVR1BKCNH2
SCHEMBL5208695 0.90 ACVR1 (0.53) TGFBR1ACVR1FYNACVR1BKCNH2
Hydrochloric Acid SCHEMBL5210606 0.89 ACVR1 (0.52) TGFBR1ACVR1FYNACVR1BKCNH2
SCHEMBL5208583 0.88 TGFBR1 (0.49) TGFBR1ACVR1FYNACVR1BKCNH2
SCHEMBL5205953 0.83 TGFBR1 (0.48) TGFBR1ACVR1FYNACVR1BKDM4E
SCHEMBL5205394 0.81 FYN (0.38) TGFBR1ACVR1FYNACVR1BKCNH2
Hydrochloric Acid SCHEMBL5203198 0.80 FYN (0.38) TGFBR1ACVR1FYNACVR1BKCNH2
SCHEMBL2448017 0.78 FYN (0.53) TGFBR1FYN

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 TGFBR1 237/4885ACVR1 311/4885FYN 1448/4885

“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.