SCHEMBL5233251

SCHEMBL5233251

COc1cccc(-c2ccc(N3CCCN(c4ccc(-c5cccc(OC)c5)cn4)CC3)nc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.54
DRD2 P14416 1/20 0.50
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
CNR2 P34972 4/20 0.49
CLK4 Q9HAZ1 4/20 0.48
ALDH1A1 P00352 3/20 0.48
USP2 O75604 3/20 0.48
CYP1A2 P05177 3/20 0.48
CYP3A4 P08684 3/20 0.48
CYP2C19 P33261 3/20 0.48
LMNA P02545 3/20 0.48
MAPK1 P28482 3/20 0.48
CYP2D6 P10635 2/20 0.48
HIF1A Q16665 2/20 0.48
NPC1 O15118 2/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 1/20 0.47
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47

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
SCHEMBL5237599 0.89 EGLN1 (0.55) EGLN1DRD4ALDH1A1USP2LMNA
SCHEMBL5236805 0.87 CNR2 (0.47) CNR2TGFBR1ACVR1KDM4E
SCHEMBL14266226 0.87 CNR2 (0.52) EGLN1DRD2DRD4DRD3CNR2
SCHEMBL5239769 0.84 EGLN1 (0.49) EGLN1CNR2ALDH1A1NPC1MAPT
SCHEMBL5238721 0.81 MCHR1 (0.50) CNR2CYP1A2CYP3A4CYP2C19LMNA
SCHEMBL5231722 0.81 MAP4K1 (0.57) CNR2ALDH1A1MAPK1PDGFRBPDGFRA
SCHEMBL5237258 0.81 WNT3A (0.45) EGLN1DRD4ALDH1A1LMNAMAPK1
SCHEMBL5241095 0.80 ERN1 (0.44) EGLN1CNR2ACVR1MEN1KMT2A
SCHEMBL5234698 0.80 ZAP70 (0.46) CNR2FYN
SCHEMBL1728732 0.78 DRD4 (0.62) EGLN1DRD2DRD4DRD3CYP1A2

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 EGLN1 330/4885DRD2 1487/4885DRD4 885/4885
US-20030027814-A1 Bis(5-aryl-2-pyridyl) derivatives AHR, PAH, H1-0 EGLN1 488/4885DRD2 752/4885DRD4 426/4885

“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.