SCHEMBL4876246

SCHEMBL4876246

Cc1ccc(C(=NOC2CCNCC2)c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
CYP2D6 P10635 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK14 Q16539 7/20 0.34
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
HTR1A P08908 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
ALOX15 P16050 1/20 0.31
SLC6A3 Q01959 1/20 0.31
NPC1 O15118 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CHRM1 P11229 2/20 0.30
F10 P00742 1/20 0.30
TP53 P04637 1/20 0.30
THRB P10828 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
SCHEMBL4876241 1.00 MEN1 (0.34) MEN1CYP2D6KMT2AMAPK14MAPK13
SCHEMBL4876390 0.91 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11HTR1A
SCHEMBL4876381 0.91 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11HTR1A
SCHEMBL4879098 0.89 MAPK14 (0.37) MAPK14MAPK13MAPK12MAPK11HTR1A
SCHEMBL4879095 0.89 MAPK14 (0.37) MAPK14MAPK13MAPK12MAPK11HTR1A
SCHEMBL4871364 0.89 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11HTR1A
SCHEMBL4871369 0.89 MAPK14 (0.39) MAPK14MAPK13MAPK12MAPK11HTR1A
SCHEMBL4871498 0.89 MGLL (0.37) KMT2AMAPK14MAPK13MAPK12MAPK11
SCHEMBL4871501 0.89 MGLL (0.37) KMT2AMAPK14MAPK13MAPK12MAPK11
SCHEMBL4873286 0.88 MAPK14 (0.38) MAPK14MAPK13MAPK12MAPK11HTR1A

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 MEN1 2673/4885CYP2D6 504/4885KMT2A 3886/4885

“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.