SCHEMBL10041694

SCHEMBL10041694

O=Cc1cccnc1-c1ccncc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
ADORA2B P29275 1/20 0.39
ORAI1 Q96D31 1/20 0.39
IDO1 P14902 1/20 0.38
KCNA5 P22460 3/20 0.37
KMT2A Q03164 2/20 0.37
CDC25B P30305 2/20 0.37
S100A4 P26447 1/20 0.37
GSK3B P49841 2/20 0.36
DPP4 P27487 1/20 0.36
NFATC1 O95644 1/20 0.36
DYRK1A Q13627 1/20 0.36
NFE2L2 Q16236 2/20 0.35
ERN1 O75460 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
CDC7 O00311 1/20 0.35

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
SCHEMBL6772449 0.82 DPP4 (0.53) TRIM24TRIM33KCNA5KMT2ACDC25B
SCHEMBL30679641 0.79 IDO1 (0.43) ORAI1IDO1KMT2ACDC25BGSK3B
SCHEMBL23948348 0.78 TRIM24 (0.48) TRIM24TRIM33IDO1KMT2ACDC25B
SCHEMBL29773795 0.75 TRIM24 (0.61) TRIM24TRIM33IDO1KMT2ACDC25B
SCHEMBL10041683 0.75 TDP1 (0.44) TRIM24TRIM33ORAI1CDC25BS100A4
SCHEMBL14841031 0.73 TRIM24 (0.50) TRIM24TRIM33IDO1KMT2AERN1
SCHEMBL30567475 0.72 TRIM24 (0.46) TRIM24TRIM33IDO1KMT2AERN1
SCHEMBL117895 0.72
SCHEMBL29954572 0.72
Water SCHEMBL20534686 0.71 TRIM24 (0.48) TRIM24TRIM33IDO1KMT2AERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2570412-A1 Novel nitrogen-containing heterocyclic compound and organic electronic device using the same LG Chem, Ltd. (KR) 2013-03-20 EP 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
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME LG CHEM, LTD. (KR) 2011-06-02 US disclosed
WO-2010062065-A2 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME 주식회사 엘지화학 (KR) 2010-06-03 WO 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 TRIM24 1740/4885TRIM33 2691/4885ADORA2B 4252/4885
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME VDAC2, VDAC1, VDAC3 TRIM24 1740/4885TRIM33 2691/4885ADORA2B 4252/4885

“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.