SCHEMBL10041762

SCHEMBL10041762

c1ccc(-c2ccc(-n3c4ccc(-c5ccc6c(c5)c5ccc7ccccc7c5n6-c5ccc(-c6ccccc6)cc5)cc4c4ccc5ccccc5c43)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSPO P30536 1/20 0.35
PIM1 P11309 1/20 0.34
PDPK1 O15530 2/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
LDHA P00338 2/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
CDK4 P11802 2/20 0.33
CCND1 P24385 2/20 0.33
MAOB P27338 1/20 0.33
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 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
SCHEMBL24627338 0.95 L3MBTL1 (0.47) NR3C1KDM4EATML3MBTL1TSPO
SCHEMBL26416271 0.95 L3MBTL1 (0.47) NR3C1KDM4EATML3MBTL1TSPO
SCHEMBL24765797 0.95 L3MBTL1 (0.47) NR3C1KDM4EATML3MBTL1TSPO
SCHEMBL20826228 0.94 NR3C1 (0.37) NR3C1TSPOPIM1PDPK1PIK3CD
SCHEMBL21862631 0.93 NR3C1 (0.38) NR3C1KDM4EATML3MBTL1PDPK1
SCHEMBL20391592 0.93 NR3C1 (0.36) NR3C1TSPOPIM1PDPK1PIK3CD
SCHEMBL20101475 0.92 TSPO (0.36) NR3C1KDM4EATML3MBTL1TSPO
SCHEMBL19132476 0.91 HPRT1 (0.41) KDM4EATML3MBTL1PDPK1KMT2A
SCHEMBL15739315 0.91 EGFR (0.37) NR3C1MEN1MAPTKMT2A
SCHEMBL25847238 0.91 RXRA (0.43) KDM4EATML3MBTL1TSPOMAOB

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-2570412-B1 Novel nitrogen-containing heterocyclic compound and organic electronic device using the same LG CHEMICAL LTD (KR) 2017-01-04 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-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

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 NR3C1 3576/4885KDM4E 382/4885ATM 4346/4885
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME VDAC2, VDAC1, VDAC3 NR3C1 3576/4885KDM4E 382/4885ATM 4346/4885

“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.