SCHEMBL6736754

SCHEMBL6736754

COC(=O)c1cc(CNc2cccc(CN3CCCCC3)c2)n(C(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 5/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
LMNA P02545 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
PKM P14618 1/20 0.38

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
SCHEMBL6733775 0.77 HIF1A (0.57) ACKR3KDM4ECYP2D6CYP2C9HIF1A
SCHEMBL6733742 0.74 ALDH1A1 (0.56) KDM4ECYP2D6CYP2C9HIF1ACDK5
SCHEMBL6737254 0.74 CYP2D6 (0.44) ACKR3KDM4ECYP2D6CYP2C9HIF1A
SCHEMBL6736756 0.74 CDK5 (0.48) ACKR3KDM4ECYP2D6CYP2C9HIF1A
SCHEMBL28835431 0.73 HSD17B10 (0.36) KDM4ECYP2C9MEN1ALDH1A1KMT2A
SCHEMBL6735403 0.71 ACP1 (0.50) KDM4ECDK5CDK5R1MEN1ALDH1A1
SCHEMBL12563565 0.70 CYP2D6 (0.69) KDM4ECYP2D6CYP2C9HIF1AMEN1
SCHEMBL6730138 0.69 SMN1; SMN2 (0.51) ACKR3KDM4ECYP2D6CYP2C9HIF1A
SCHEMBL6734315 0.69 HRH3 (0.54) KDM4ECYP2D6CYP2C9HIF1ACDK5
SCHEMBL1373046 0.68 CYP2D6 (0.67) KDM4ECYP2D6CYP2C9HIF1AMEN1

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 ACKR3 825/4885KDM4E 4423/4885CYP2D6 685/4885
US-20030225288-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 ACKR3 825/4885KDM4E 4423/4885CYP2D6 685/4885
US-20040122026-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 ACKR3 825/4885KDM4E 4423/4885CYP2D6 685/4885

“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.