SCHEMBL4868797

SCHEMBL4868797

CN1CCC(ON=C(c2ccc(=O)n(-c3c(F)cccc3F)c2)c2ccc(F)cc2F)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MAPK14 Q16539 2/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
ACKR3 P25106 1/20 0.37
HTR1F P30939 4/20 0.34
SCN1A P35498 2/20 0.33
SCN2A Q99250 2/20 0.33
SCN3A Q9NY46 2/20 0.33
MEN1 O00255 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
TRPV1 Q8NER1 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
SCHEMBL4869380 1.00 KMT2A (0.41) KMT2AMAPK14MAPK13MAPK12MAPK11
SCHEMBL4868793 1.00 KMT2A (0.41) KMT2AMAPK14MAPK13MAPK12MAPK11
SCHEMBL4875278 0.93 KMT2A (0.40) KMT2AMAPK14MAPK13MAPK12MAPK11
SCHEMBL4875287 0.93 KMT2A (0.40) KMT2AMAPK14MAPK13MAPK12MAPK11
SCHEMBL4875497 0.92 KMT2A (0.40) KMT2AACKR3HTR1F
SCHEMBL4876884 0.92 KMT2A (0.40) KMT2AMAPK14MAPK11ACKR3HTR1F
SCHEMBL4875500 0.92 KMT2A (0.40) KMT2AACKR3HTR1F
SCHEMBL4876874 0.92 KMT2A (0.40) KMT2AMAPK14MAPK11ACKR3HTR1F
SCHEMBL4877537 0.91 KMT2A (0.39) KMT2AMAPK14MAPK13MAPK12MAPK11
SCHEMBL4876166 0.91 KMT2A (0.39) KMT2AMAPK14MAPK13MAPK12MAPK11

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 KMT2A 3886/4885MAPK14 13/4885MAPK13 12/4885

“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.