SCHEMBL20068613

SCHEMBL20068613

c1ccc(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-c5ccccn5)cc4)cc(-c4ccccc4-c4ccc(-c5ccc(-c6ccccc6-c6cc(-c7ccccc7-c7ccc(-c8ccccn8)cc7)cc(-c7ccccc7-c7ccc(-c8ccccn8)cc7)c6)cn5)nc4)c3)cc2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.48
KDM4E B2RXH2 3/20 0.47
LMNA P02545 3/20 0.47
P4HTM Q9NXG6 2/20 0.47
CCR1 P32246 2/20 0.47
CCR5 P51681 2/20 0.47
CCR8 P51685 2/20 0.47
CYP1A2 P05177 2/20 0.47
POLB P06746 1/20 0.47
METAP1 P53582 1/20 0.47
BLM P54132 1/20 0.47
HIF1A Q16665 1/20 0.47
DOHH Q9BU89 1/20 0.47
HPGDS O60760 1/20 0.47
TP53 P04637 2/20 0.46
ALOX15 P16050 2/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 2/20 0.46

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
SCHEMBL21125828 0.98 CHEK2 (0.49) CHEK2KDM4ELMNAP4HTMCCR1
SCHEMBL18015360 0.95 HPGDS (0.49) CHEK2KDM4ELMNAP4HTMCCR1
SCHEMBL19794441 0.95 HPGDS (0.52) CHEK2KDM4ELMNAP4HTMCCR1
SCHEMBL12925598 0.95 KDM4E (0.52) CHEK2KDM4ELMNAP4HTMCCR1
SCHEMBL21125929 0.94 CHEK2 (0.49) CHEK2LMNAP4HTMHPGDSL3MBTL1
SCHEMBL21125087 0.94 HSD17B1 (0.49) CHEK2KDM4ELMNAP4HTMCCR1
SCHEMBL21398057 0.91 HPGDS (0.43) CHEK2KDM4ELMNAP4HTMCCR1
SCHEMBL14297297 0.90 HPGDS (0.44) CHEK2KDM4ELMNAP4HTMCCR1
SCHEMBL21125566 0.90 CYP2A6 (0.46) CHEK2KDM4ELMNAP4HTMCCR1
SCHEMBL9974986 0.90 KDM4E (0.50) CHEK2KDM4ELMNAP4HTMCCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3526227-B1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-06-03 EP disclosed
US-20200052213-A1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-02-13 US disclosed
WO-2018069196-A1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-04-19 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 (1 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-20200052213-A1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES BICRA, NCLN, IMMT CHEK2 4031/4885KDM4E 3160/4885LMNA 3421/4885

“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.