SCHEMBL4635617

SCHEMBL4635617

CCc1ccc(N)c(NC2CCN(C3CCOCC3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 8/20 0.47
FLT3 P36888 1/20 0.37
EHMT2 Q96KQ7 2/20 0.36
AXL P30530 4/20 0.36
ETV6 P41212 3/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
MCHR1 Q99705 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
IRAK2 O43187 1/20 0.34
CLK1 P49759 1/20 0.34
CLK2 P49760 1/20 0.34
IRAK1 P51617 1/20 0.34
HASPIN Q8TF76 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
IRAK3 Q9Y616 1/20 0.34
KCNH2 Q12809 1/20 0.34
HRH4 Q9H3N8 1/20 0.34

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
SCHEMBL607724 0.84 IRAK4 (0.39) IRAK4EHMT2KCNH2HRH4HRH3
SCHEMBL4635779 0.81 IRAK4 (0.46) IRAK4EHMT2NOS3NOS1NOS2
SCHEMBL607470 0.81 IRAK4 (0.38) IRAK4EHMT2KCNH2HRH4HRH3
SCHEMBL14923222 0.81 IRAK4 (0.38) IRAK4EHMT2KCNH2HRH4HRH3
SCHEMBL4938339 0.81 IRAK4 (0.46) IRAK4NOS3NOS1NOS2HRH3
SCHEMBL4646524 0.79 CHRM2 (0.38) IRAK4FLT3EHMT2AXLETV6
SCHEMBL4636443 0.79 IRAK4 (0.47) IRAK4HRH3
SCHEMBL13374903 0.79 IRAK4 (0.35) IRAK4EHMT2NOS3NOS1NOS2
SCHEMBL4648772 0.76 HTR4 (0.39) IRAK4EHMT2NOS3NOS1NOS2
SCHEMBL8247963 0.76 HRH3 (0.39) IRAK4EHMT2HRH3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288413-B2 Benzimidazolones which have activity at M1 receptor GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
US-8288413-B2 Benzimidazolones which have activity at M1 receptor GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
US-8288413-B2 Benzimidazolones which have activity at M1 receptor GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
US-20080306112-A1 Benzimidazolones Which Have Activity at M1 Receptor GLAXO GROUP LIMITED (GB) 2008-12-11 US disclosed
US-20080306112-A1 Benzimidazolones Which Have Activity at M1 Receptor GLAXO GROUP LIMITED (GB) 2008-12-11 US disclosed
US-20080306112-A1 Benzimidazolones Which Have Activity at M1 Receptor GLAXO GROUP LIMITED (GB) 2008-12-11 US disclosed
EP-1937670-A1 BENZIMIDAZOLONES WHICH HAVE ACTIVITY AT M1 RECEPTOR GLAXO GROUP LIMITED (GB) 2008-07-02 EP disclosed
WO-2007036711-A1 BENZIMIDAZOLONES WHICH HAVE ACTIVITY AT Ml RECEPTOR GLAXO GROUP LIMITED (GB) 2007-04-05 WO disclosed
WO-2007036711-A1 BENZIMIDAZOLONES WHICH HAVE ACTIVITY AT Ml RECEPTOR GLAXO GROUP LIMITED (GB) 2007-04-05 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 (1 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-20080306112-A1 Benzimidazolones Which Have Activity at M1 Receptor CHRM1, CHRM2, CHRM4 IRAK4 2981/4885FLT3 414/4885EHMT2 4190/4885

“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.