SCHEMBL6736360

SCHEMBL6736360

COC(=O)c1ccc(CN(C(=O)CCN2CCN(Cc3cc(C)cc(C)c3)C2=C(C#N)C#N)c2cccc(CN3CCCCC3)c2)s1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.36
KIT P10721 2/20 0.32
FLT1 P17948 2/20 0.32
KDR P35968 2/20 0.32
PTGER4 P35408 1/20 0.32
PTGER2 P43116 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
THRB P10828 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
SCHEMBL6733594 0.94 HRH3 (0.37) HRH3KITFLT1KDRPTGER4
SCHEMBL6729180 0.88 HRH3 (0.38) HRH3MEN1KMT2ACYP3A4CYP2D6
SCHEMBL6734818 0.88 HRH3 (0.38) HRH3MEN1KMT2ACYP3A4CYP2D6
SCHEMBL6736330 0.86 HRH3 (0.43) HRH3MEN1KMT2ACYP2D6CYP2C9
SCHEMBL6739327 0.84 HRH3 (0.41) HRH3MEN1KMT2ACYP2D6CYP2C9
SCHEMBL6735891 0.83 HRH3 (0.42) HRH3CYP2D6CYP2C9
SCHEMBL6734154 0.83 HRH3 (0.42) HRH3CYP3A4CYP2D6CYP2C9
SCHEMBL6730287 0.83 HRH3 (0.42) HRH3CYP2D6CYP2C9
SCHEMBL6735021 0.83 HRH3 (0.34) HRH3
SCHEMBL6734830 0.83 CYP2D6 (0.46) HRH3CYP2D6CYP2C9

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 530/4885KIT 2203/4885FLT1 3807/4885
US-20030225288-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 HRH3 530/4885KIT 2203/4885FLT1 3807/4885
US-20040122026-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 HRH3 530/4885KIT 2203/4885FLT1 3807/4885

“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.