SCHEMBL4879098

SCHEMBL4879098

Cc1cccc(Cl)c1-n1cc(C(=NOC2CCNCC2)c2ccc(F)cc2F)ccc1=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.37
MAPK13 O15264 2/20 0.37
MAPK12 P53778 2/20 0.37
MAPK11 Q15759 2/20 0.37
CHRNA7 P36544 1/20 0.33
HSD11B1 P28845 1/20 0.33
KCNH2 Q12809 1/20 0.32
HTR1A P08908 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
P2RX7 Q99572 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
SCHEMBL4879095 1.00 MAPK14 (0.37) MAPK14MAPK13MAPK12MAPK11CHRNA7
SCHEMBL4871335 0.94 HTR1A (0.34) MAPK14MAPK13MAPK12MAPK11HSD11B1
SCHEMBL4876390 0.94 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11HSD11B1
SCHEMBL4876381 0.94 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11HSD11B1
SCHEMBL4871343 0.94 HTR1A (0.34) MAPK14MAPK13MAPK12MAPK11HSD11B1
SCHEMBL4871364 0.92 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11HSD11B1
SCHEMBL4871369 0.92 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11HSD11B1
SCHEMBL4873286 0.91 MAPK14 (0.38) MAPK14MAPK13MAPK12MAPK11HSD11B1
SCHEMBL4873280 0.91 MAPK14 (0.38) MAPK14MAPK13MAPK12MAPK11HSD11B1
SCHEMBL4868872 0.90 GPR6 (0.34) MAPK14MAPK13MAPK12MAPK11HSD11B1

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-20080081825-A1 Nitrogen-Containing Heterocyclic Compounds and Medicinal Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-03 US claimed
EP-1741702-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-10 EP claimed
US-20080081825-A1 Nitrogen-Containing Heterocyclic Compounds and Medicinal Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2008-04-03 US disclosed
EP-1741702-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND MEDICINAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2007-01-10 EP 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-20080081825-A1 Nitrogen-Containing Heterocyclic Compounds and Medicinal Use Thereof MAPK1, NOS1, NOS2 MAPK14 13/4885MAPK13 12/4885MAPK12 28/4885

“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.