SCHEMBL6736330

SCHEMBL6736330

Cc1cc(C)cc(CN2CCN(CCC(=O)N(Cc3ccccc3)c3cccc(CN4CCCCC4)c3)C2=C(C#N)C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.43
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
JAK2 O60674 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
PAX8 Q06710 1/20 0.38
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HIF1A Q16665 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSPO P30536 1/20 0.35
OPRM1 P35372 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
AR P10275 1/20 0.35

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
SCHEMBL6734830 0.93 CYP2D6 (0.46) HRH3CYP2D6CYP2C9HIF1AKDM4E
SCHEMBL6734154 0.92 HRH3 (0.42) HRH3ALDH1A1CYP2D6CYP2C9HIF1A
SCHEMBL6730287 0.91 HRH3 (0.42) HRH3ALDH1A1CYP2D6CYP2C9HIF1A
SCHEMBL6735891 0.91 HRH3 (0.42) HRH3CYP2D6CYP2C9HIF1AOPRM1
SCHEMBL6735545 0.90 HRH3 (0.41) HRH3ALDH1A1CYP2D6CYP2C9HIF1A
SCHEMBL6734494 0.90 HRH3 (0.39) HRH3ALDH1A1CYP2D6CYP2C9HIF1A
SCHEMBL6729180 0.90 HRH3 (0.38) HRH3ALDH1A1NPC1HTTRAB9A
SCHEMBL6733594 0.89 HRH3 (0.37) HRH3ALDH1A1CYP2D6CYP2C9HIF1A
SCHEMBL6739327 0.89 HRH3 (0.41) HRH3CYP2D6CYP2C9HIF1AKDM4E
SCHEMBL7001866 0.89 HRH3 (0.41) HRH3ALDH1A1CYP2D6CYP2C9HIF1A

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 4 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
WO-2003087063-A1 IMIDAZOLIDINE COMPOUNDS AS CHEMOKINE RECEPTOR MODULATORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-23 WO 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 530/4885ALDH1A1 569/4885NPC1 401/4885
US-20030225288-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 HRH3 530/4885ALDH1A1 569/4885NPC1 401/4885
US-20040122026-A1 Imidazolidine compounds IRAK1, IRAK4, IRAK2 HRH3 530/4885ALDH1A1 569/4885NPC1 401/4885

“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.