SCHEMBL6734676

SCHEMBL6734676

CCCNCc1cccc(N(CC)C(=O)CCN2CCN(Cc3cc(C)cc(C)c3)C2=C(C#N)C#N)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.36
POLQ O75417 4/20 0.32
CXCR4 P61073 1/20 0.32
ALDH1A1 P00352 3/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CYP3A4 P08684 1/20 0.30
RECQL P46063 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
HTR6 P50406 1/20 0.30
CTSB P07858 1/20 0.30
CCR5 P51681 1/20 0.30

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
SCHEMBL6735891 0.81 HRH3 (0.42) HRH3
SCHEMBL6739327 0.78 HRH3 (0.41) HRH3MEN1MAPTKMT2AKDM4E
SCHEMBL6730287 0.78 HRH3 (0.42) HRH3ALDH1A1KDM4E
SCHEMBL6736330 0.78 HRH3 (0.43) HRH3ALDH1A1MEN1KMT2AKDM4E
SCHEMBL6734154 0.78 HRH3 (0.42) HRH3ALDH1A1KDM4ECYP3A4RECQL
SCHEMBL7001866 0.77 HRH3 (0.41) HRH3ALDH1A1KDM4E
SCHEMBL7665084 0.76 HRH3 (0.34) HRH3CXCR4ALDH1A1MEN1MAPT
SCHEMBL6737938 0.76 HRH3 (0.35) HRH3ALDH1A1KDM4ECYP3A4RECQL
SCHEMBL7655188 0.76 HRH3 (0.42) HRH3
SCHEMBL6739873 0.76 HRH3 (0.35) HRH3ALDH1A1KDM4ECYP3A4RECQL

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 3 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

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 530/4885POLQ 3978/4885CXCR4 1807/4885
US-20030225288-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 HRH3 530/4885POLQ 3978/4885CXCR4 1807/4885
US-20040122026-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 HRH3 530/4885POLQ 3978/4885CXCR4 1807/4885

“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.