SCHEMBL4876884

SCHEMBL4876884

CN1CCC(ON=C(c2ccc(=O)n(-c3c(Cl)cccc3Cl)c2)c2ccc(F)cc2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MAPK14 Q16539 5/20 0.37
HSD11B1 P28845 2/20 0.37
HTR1F P30939 3/20 0.35
ACKR3 P25106 1/20 0.35
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPK11 Q15759 1/20 0.34
P2RX7 Q99572 2/20 0.33
WEE1 P30291 1/20 0.33

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
SCHEMBL4876874 1.00 KMT2A (0.40) KMT2AMAPK14HSD11B1HTR1FACKR3
SCHEMBL4877665 0.95 KMT2A (0.38) KMT2AMAPK14HSD11B1HTR1FACKR3
SCHEMBL4877667 0.95 KMT2A (0.38) KMT2AMAPK14HSD11B1HTR1FACKR3
SCHEMBL4868797 0.92 KMT2A (0.41) KMT2AMAPK14HTR1FACKR3MEN1
SCHEMBL4868793 0.92 KMT2A (0.41) KMT2AMAPK14HTR1FACKR3MEN1
SCHEMBL4869380 0.92 KMT2A (0.41) KMT2AMAPK14HTR1FACKR3MEN1
SCHEMBL4868322 0.91 HSD11B1 (0.41) KMT2AMAPK14HSD11B1P2RX7
SCHEMBL4873293 0.91 MAPK14 (0.48) MAPK14HSD11B1MAPK11
SCHEMBL4877778 0.91 MAPK14 (0.38) MAPK14HSD11B1MAPK11
SCHEMBL4877782 0.91 MAPK14 (0.38) MAPK14HSD11B1MAPK11

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 2 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 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 13/4885HSD11B1 544/4885

“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.