SCHEMBL10041645

SCHEMBL10041645

N#Cc1ccc2c3cc(-c4cccc(-c5ccc6c(c5)c5ccc(C#N)cc5n5c7ccccc7nc65)c4)ccc3c3nc4ccccc4n3c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.44
▸ ALDH1A1 P00352 6/20 0.44
▸ LMNA P02545 2/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ NCOA3 Q9Y6Q9 1/20 0.44
▸ ADORA2A P29274 2/20 0.42
▸ HPGD P15428 4/20 0.42
▸ MAPT P10636 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ GAA P10253 3/20 0.41
▸ HTT P42858 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ PRF1 P14222 5/20 0.41
▸ GLA P06280 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ XBP1 P17861 1/20 0.39
▸ CFTR P13569 1/20 0.39
▸ PTGER4 P35408 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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 0.95 KDM4E (0.46) KDM4EALDH1A1LMNANPSR1RXFP1
SCHEMBL10023279 0.94 KDM4E (0.44) KDM4EALDH1A1LMNANPSR1RXFP1
SCHEMBL10023277 0.91 KDM4E (0.46) KDM4EALDH1A1LMNANPSR1RXFP1
SCHEMBL10023761 0.91 PRF1 (0.41) KDM4EALDH1A1LMNANPSR1RXFP1
SCHEMBL10023398 0.91 PRF1 (0.41) KDM4EALDH1A1LMNANPSR1RXFP1
SCHEMBL10023275 0.90 KDM4E (0.45) KDM4EALDH1A1LMNANPSR1RXFP1
SCHEMBL10023503 0.90 PRF1 (0.41) KDM4EALDH1A1LMNANPSR1RXFP1
SCHEMBL10023747 0.90 ADORA2A (0.42) KDM4EALDH1A1LMNANPSR1RXFP1
SCHEMBL10023744 0.89 ADORA2A (0.43) KDM4EALDH1A1LMNANPSR1RXFP1
SCHEMBL10041647 0.89 ADORA2A (0.38) KDM4EALDH1A1LMNANPSR1RXFP1

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 13 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-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
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-20120193612-A1 ORGANIC LIGHT EMITTING DIODE AND MANUFACTURING METHOD THEREOF LG CHEM, LTD. (KR) 2012-08-02 — — US disclosed
US-20120193612-A1 ORGANIC LIGHT EMITTING DIODE AND MANUFACTURING METHOD THEREOF LG CHEM, LTD. (KR) 2012-08-02 — — 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

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 KDM4E 382/4885ALDH1A1 2949/4885LMNA 2734/4885
US-20110127513-A1 NOVEL NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME VDAC2, VDAC1, VDAC3 KDM4E 382/4885ALDH1A1 2949/4885LMNA 2734/4885

“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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