SCHEMBL6734154

SCHEMBL6734154

Cc1cc(C)cc(CN2CCN(CCC(=O)N(CC(=O)O)c3cccc(CN4CCCCC4)c3)C2=C(C#N)C#N)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.42
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KEAP1 Q14145 2/20 0.33

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
SCHEMBL6735545 0.93 HRH3 (0.41) HRH3CYP2D6CYP2C9HIF1AKDM4E
SCHEMBL6739327 0.92 HRH3 (0.41) HRH3CYP2D6CYP2C9HIF1AKDM4E
SCHEMBL6736330 0.92 HRH3 (0.43) HRH3CYP2D6CYP2C9HIF1AKDM4E
SCHEMBL6730287 0.91 HRH3 (0.42) HRH3CYP2D6CYP2C9HIF1AKDM4E
SCHEMBL6735891 0.91 HRH3 (0.42) HRH3CYP2D6CYP2C9HIF1A
SCHEMBL7001866 0.89 HRH3 (0.41) HRH3CYP2D6CYP2C9HIF1AKDM4E
SCHEMBL6734830 0.89 CYP2D6 (0.46) HRH3CYP2D6CYP2C9HIF1AKDM4E
SCHEMBL6740383 0.89 HRH3 (0.42) HRH3CYP2D6CYP2C9HIF1AKDM4E
SCHEMBL6730303 0.88 HRH3 (0.42) HRH3CYP2D6CYP2C9HIF1AKDM4E
SCHEMBL6735297 0.87 HRH3 (0.39) HRH3CYP2D6CYP2C9HIF1A

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
US-20040127507-A1 Imidazolidine compounds MILLENNIUM PHARMACEUTICALS, INC. (US) 2004-07-01 US disclosed
US-20040122026-A1 Imidazolidine compounds MILLENNIUM PHARMACEUTICALS, INC. 2004-06-24 US disclosed
US-20030225288-A1 Imidazolidine compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-12-04 US disclosed
WO-2003087063-A1 IMIDAZOLIDINE COMPOUNDS AS CHEMOKINE RECEPTOR MODULATORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-23 WO 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 (3 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-20040127507-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 HRH3 530/4885CYP2D6 685/4885CYP2C9 236/4885
US-20030225288-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 HRH3 530/4885CYP2D6 685/4885CYP2C9 236/4885
US-20040122026-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 HRH3 530/4885CYP2D6 685/4885CYP2C9 236/4885

“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.