SCHEMBL215149

SCHEMBL215149

Cc1ccc(Br)cc1-n1cnc(C(N)=O)c1C(=O)Nc1nc2cc(N3CCN(CCOCc4ccccc4)CC3)ccc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIT P10721 8/20 0.36
CYP3A4 P08684 1/20 0.36
KCNH2 Q12809 1/20 0.36
LRRK2 Q5S007 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
FLT3 P36888 5/20 0.35
MAPK14 Q16539 6/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
PTGDR Q13258 1/20 0.33
MET P08581 1/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32

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
SCHEMBL214177 0.92 MAPK14 (0.37) CYP3A4KCNH2MAPK14DRD2DRD3
SCHEMBL214889 0.90 JAK2 (0.39) MAPK14DRD4PTGDR
SCHEMBL215772 0.88 AURKA (0.35) KCNH2MAPK14DRD2DRD4DRD3
Acetic Acid SCHEMBL214839 0.87 AURKA (0.34) KCNH2MAPK14DRD2DRD4DRD3
SCHEMBL214920 0.86 MAPK14 (0.42) KCNH2MAPK14
SCHEMBL214523 0.85 MAPK14 (0.35) KCNH2MAPK14PTGDR
SCHEMBL214519 0.85 TBK1 (0.38) MAPK14
SCHEMBL214506 0.83 MAPK14 (0.34) KCNH2MAPK14
Hydrochloric Acid SCHEMBL215304 0.83 MAPK14 (0.34) KCNH2MAPK14
SCHEMBL216098 0.82 KCNA5 (0.37) FLT3DRD2DRD3

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-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US claimed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US claimed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 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 (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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 KIT 512/4885CYP3A4 3666/4885KCNH2 2774/4885

“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.