SCHEMBL6733942

SCHEMBL6733942

Cc1cc(C)cc(CN2CCN(CCC(=O)N(c3cccc(CN(C)CCO)c3)C(C)C)C2=C(C#N)C#N)c1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.36
HTR2C P28335 1/20 0.31
BRD4 O60885 1/20 0.31
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 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
SCHEMBL6737938 0.90 HRH3 (0.35) HRH3HTR2CBRD4
SCHEMBL6732800 0.88 HDAC3 (0.37) HRH3HTR2C
SCHEMBL6734382 0.88 HRH3 (0.40) HRH3HTR2C
SCHEMBL6739873 0.87 HRH3 (0.35) HRH3HTR2CBRD4
SCHEMBL6737153 0.85 HRH3 (0.40) HRH3
SCHEMBL6839627 0.84 LMNA (0.37) HRH3
SCHEMBL6735998 0.80 KDM4E (0.46)
SCHEMBL6730287 0.78 HRH3 (0.42) HRH3
SCHEMBL6740383 0.76 HRH3 (0.42) HRH3
SCHEMBL6732976 0.76 HRH3 (0.41) 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 HRH3 530/4885HTR2C 2743/4885BRD4 284/4885
US-20030225288-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 HRH3 530/4885HTR2C 2743/4885BRD4 284/4885
US-20040122026-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 HRH3 530/4885HTR2C 2743/4885BRD4 284/4885

“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.