SCHEMBL6734463

SCHEMBL6734463

Cc1cc(C)cc(CN2CCN(CCC(=O)Nc3cccc(CN4CCCCC4)c3)C2=C(C#N)C#N)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 4/20 0.44
ALDH1A1 P00352 2/20 0.43
TERT O14746 2/20 0.43
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
USP2 O75604 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL6740383 0.82 HRH3 (0.42) ALDH1A1MEN1KMT2A
SCHEMBL6737153 0.80 HRH3 (0.40) ALDH1A1
SCHEMBL6734154 0.79 HRH3 (0.42) ALDH1A1
SCHEMBL6736330 0.79 HRH3 (0.43) ALDH1A1MEN1KMT2A
SCHEMBL6735891 0.79 HRH3 (0.42)
SCHEMBL6730287 0.79 HRH3 (0.42) ALDH1A1
SCHEMBL6737042 0.79 CHRM2 (0.39) MEN1KMT2A
SCHEMBL6735545 0.79 HRH3 (0.41) ALDH1A1
SCHEMBL7001866 0.78 HRH3 (0.41) ALDH1A1
SCHEMBL6739327 0.78 HRH3 (0.41) MEN1KMT2A

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 ACKR3 825/4885ALDH1A1 569/4885TERT 2255/4885
US-20030225288-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 ACKR3 825/4885ALDH1A1 569/4885TERT 2255/4885
US-20040122026-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 ACKR3 825/4885ALDH1A1 569/4885TERT 2255/4885

“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.