SCHEMBL10041669

SCHEMBL10041669

Clc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c(-c2ccccc2Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.58
MAPK13 O15264 9/20 0.55
MAPK12 P53778 9/20 0.55
MAPK11 Q15759 9/20 0.55
MAPK14 Q16539 9/20 0.55
RAF1 P04049 6/20 0.55
GCGR P47871 3/20 0.52
POLB P06746 2/20 0.51
KDM4E B2RXH2 1/20 0.51
TEK Q02763 1/20 0.47
MAPK9 P45984 1/20 0.47
FABP4 P15090 2/20 0.46
NT5E P21589 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL10041655 0.91 MGAM (0.59) MGAMMAPK13MAPK12MAPK11MAPK14
SCHEMBL2948138 0.86 MAPK13 (0.58) MGAMMAPK13MAPK12MAPK11MAPK14
SCHEMBL1040038 0.86 MAPK13 (0.67) MGAMMAPK13MAPK12MAPK11MAPK14
SCHEMBL29360656 0.86 MAPK13 (0.67) MGAMMAPK13MAPK12MAPK11MAPK14
SCHEMBL306063 0.86 MAPK13 (0.67) MGAMMAPK13MAPK12MAPK11MAPK14
SCHEMBL2974935 0.82 KDM4E (0.68) MGAMMAPK13MAPK12MAPK11MAPK14
SCHEMBL17133348 0.81 MGAM (0.77) MGAMMAPK13MAPK12MAPK11MAPK14
SCHEMBL31429674 0.81 MGAM (0.74) MGAMMAPK13MAPK12MAPK11MAPK14
SCHEMBL20504034 0.81 MAPK13 (0.60) MGAMMAPK13MAPK12MAPK11MAPK14
SCHEMBL29732583 0.81 MAPK13 (0.60) MGAMMAPK13MAPK12MAPK11MAPK14

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2311826-B1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEMICAL LTD (KR) 2017-05-24 EP disclosed
US-9139562-B2 Nitrogen-containing heterocyclic compound and organic electronic device using the same LG CHEM, LTD. (KR) 2015-09-22 US disclosed
US-9139562-B2 Nitrogen-containing heterocyclic compound and organic electronic device using the same LG CHEM, LTD. (KR) 2015-09-22 US disclosed
US-8368062-B2 Nitrogen-containing heterocyclic compound and organic electronic device using the same LG CHEM, LTD. (KR) 2013-02-05 US disclosed
US-8368062-B2 Nitrogen-containing heterocyclic compound and organic electronic device using the same LG CHEM, LTD. (KR) 2013-02-05 US disclosed
US-20120007069-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2012-01-12 US disclosed
US-20120007069-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2012-01-12 US disclosed
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2011-06-02 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 (2 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-20120007069-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME VDAC2, VDAC1, VDAC3 MGAM 4492/4885MAPK13 2574/4885MAPK12 2367/4885
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME VDAC2, VDAC1, VDAC3 MGAM 4492/4885MAPK13 2574/4885MAPK12 2367/4885

“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.