SCHEMBL10023744

SCHEMBL10023744

N#Cc1ccc2c3cc(-c4cccc(-c5cccc(-c6ccccc6)n5)n4)ccc3c3nc4ccccc4n3c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.43
▸ KDM4E B2RXH2 8/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ LMNA P02545 3/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ NCOA3 Q9Y6Q9 1/20 0.42
▸ HPGD P15428 5/20 0.40
▸ JAK2 O60674 1/20 0.39
▸ PRKD3 O94806 1/20 0.39
▸ ABL1 P00519 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ ERBB2 P04626 1/20 0.39
▸ LCK P06239 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CSF1R P07333 1/20 0.39
▸ LYN P07948 1/20 0.39
▸ RET P07949 1/20 0.39
▸ KIT P10721 1/20 0.39
▸ FGFR1 P11362 1/20 0.39

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
SCHEMBL10023404 0.89 KDM4E (0.46) ADORA2AKDM4EALDH1A1LMNANPSR1
SCHEMBL10041645 0.89 KDM4E (0.44) ADORA2AKDM4EALDH1A1LMNANPSR1
SCHEMBL10023343 0.85 HPGD (0.51) ADORA2AKDM4EALDH1A1LMNAHPGD
SCHEMBL10023279 0.85 KDM4E (0.44) ADORA2AKDM4EALDH1A1LMNANPSR1
SCHEMBL10023277 0.85 KDM4E (0.46) ADORA2AKDM4EALDH1A1LMNANPSR1
SCHEMBL10023469 0.85 ACACA (0.43) ADORA2AKDM4EALDH1A1LMNANPSR1
SCHEMBL10023405 0.84 ADORA2A (0.42) ADORA2AKDM4EALDH1A1LMNANPSR1
SCHEMBL10023275 0.84 KDM4E (0.45) ADORA2AKDM4EALDH1A1LMNANPSR1
SCHEMBL10023745 0.84 ADORA2A (0.39) ADORA2AKDM4EALDH1A1LMNANPSR1
SCHEMBL10023635 0.83 ADORA2A (0.43) ADORA2AKDM4EALDH1A1LMNANPSR1

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
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-9349964-B2 Organic light emitting diode and manufacturing method thereof LG CHEM, LTD. (KR) 2016-05-24 — — 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
WO-2012087067-A9 ORGANIC LIGHT-EMITTING DEVICE AND METHOD FOR MANUFACTURING SAME 주식회사 엘지화학 (KR) 2012-09-07 — — WO disclosed
US-20120193612-A1 ORGANIC LIGHT EMITTING DIODE AND MANUFACTURING METHOD THEREOF LG CHEM, LTD. (KR) 2012-08-02 — — US disclosed
WO-2012087067-A2 ORGANIC LIGHT-EMITTING DEVICE AND METHOD FOR MANUFACTURING SAME 주식회사 엘지화학 (KR) 2012-06-28 — — WO 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 ADORA2A 3232/4885KDM4E 382/4885ALDH1A1 2949/4885
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME VDAC2, VDAC1, VDAC3 ADORA2A 3232/4885KDM4E 382/4885ALDH1A1 2949/4885

“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.

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