SCHEMBL6735212

SCHEMBL6735212

CCOC(=O)CCN1CCN(Cc2cc(C)cc(C)c2)C1=C(C#N)C#N

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.38
HRH3 Q9Y5N1 12/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
BRCA1 P38398 1/20 0.33
TNF P01375 3/20 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
SCHEMBL6739645 0.87 HRH3 (0.40) HRH3KDM4E
SCHEMBL7662241 0.80 HRH3 (0.42) HRH3KDM4E
SCHEMBL6737633 0.79 HRH3 (0.41) KAT2BHRH3KDM4ETNF
SCHEMBL7657040 0.79 HRH3 (0.39) HRH3
SCHEMBL6739327 0.78 HRH3 (0.41) HRH3KDM4EMEN1KMT2A
SCHEMBL6735998 0.75 KDM4E (0.46) KDM4EMEN1KMT2A
SCHEMBL6737938 0.74 HRH3 (0.35) HRH3KDM4E
SCHEMBL6734382 0.74 HRH3 (0.40) HRH3KDM4E
SCHEMBL6739873 0.73 HRH3 (0.35) HRH3KDM4E
SCHEMBL6735891 0.73 HRH3 (0.42) HRH3

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 KAT2B 1999/4885HRH3 530/4885KDM4E 4423/4885
US-20030225288-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 KAT2B 1999/4885HRH3 530/4885KDM4E 4423/4885
US-20040122026-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 KAT2B 1999/4885HRH3 530/4885KDM4E 4423/4885

“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.