SCHEMBL6734818

SCHEMBL6734818

COC(=O)c1ccc(CN(C(=O)CCN2CCN(Cc3cc(C)cc(C)c3)C2=C(C#N)C#N)c2cccc(CN3CCCCC3)c2)o1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.38
PKM P14618 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 3/20 0.37
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 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
SCHEMBL6734494 0.92 HRH3 (0.39) HRH3ALDH1A1MEN1KMT2ACYP2D6
SCHEMBL6736523 0.90 MEN1 (0.36) HRH3ALDH1A1MEN1KMT2A
SCHEMBL6729180 0.88 HRH3 (0.38) HRH3SMN1; SMN2LMNAMAPTALDH1A1
SCHEMBL6736360 0.88 HRH3 (0.36) HRH3MEN1KMT2ACYP3A4CYP2D6
SCHEMBL6736330 0.86 HRH3 (0.43) HRH3ALDH1A1MEN1KMT2ACYP2D6
SCHEMBL6739327 0.84 HRH3 (0.41) HRH3MAPTMEN1KMT2ACYP2D6
SCHEMBL6733594 0.84 HRH3 (0.37) HRH3ALDH1A1CYP2D6CYP2C9
SCHEMBL6734154 0.83 HRH3 (0.42) HRH3ALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL6730287 0.83 HRH3 (0.42) HRH3ALDH1A1CYP2D6CYP2C9
SCHEMBL6735891 0.83 HRH3 (0.42) 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 530/4885PKM 3019/4885SMN1; SMN2 853/4885
US-20030225288-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 HRH3 530/4885PKM 3019/4885SMN1; SMN2 853/4885
US-20040122026-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 HRH3 530/4885PKM 3019/4885SMN1; SMN2 853/4885

“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.