SCHEMBL21397871

SCHEMBL21397871

Cc1ncn(-c2ccc(-c3ccccc3-c3cc(-c4ccccc4-c4ccc(-n5cnc(C)c5C)cc4)cc(-c4cccc(-c5cc(-c6ccccc6-c6ccc(-n7cnc(C)c7C)cc6)cc(-c6ccccc6-c6ccc(-n7cnc(C)c7C)cc6)c5)c4-c4ccc(-c5ncccn5)cc4)c3)cc2)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.39
CYP2D6 P10635 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HIF1A Q16665 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 3/20 0.34
KMT2A Q03164 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
PTK2B Q14289 1/20 0.34
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
HTT P42858 2/20 0.33
NR1H4 Q96RI1 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
THRB P10828 1/20 0.33
PPP1CA P62136 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
SCHEMBL20006920 0.81 MAPT (0.55) CYP1A2CYP2D6ALDH1A1MAPTKMT2A
SCHEMBL20006919 0.76 MAPT (0.38) CYP1A2CYP2D6ALDH1A1HPGDMAPT
SCHEMBL21398049 0.74 CHRNB2 (0.45) CYP1A2CYP2D6ALDH1A1MAPTKMT2A
SCHEMBL21398047 0.74 TOP1 (0.40) MAPTKMT2ATHRBGRM5ADRB2
SCHEMBL20006932 0.72 GRM5 (0.41) CYP1A2CYP2D6HIF1ACYP2C9CYP2C19
SCHEMBL18015473 0.72 LDHA (0.40) CYP1A2CYP2D6ALDH1A1HPGDHIF1A
SCHEMBL21742846 0.68 ADRB2 (0.44) CYP1A2ALDH1A1HPGDKMT2AEDNRB
SCHEMBL22510633 0.68 ALDH1A1 (0.63) CYP1A2CYP2D6ALDH1A1HPGDHIF1A
SCHEMBL21397935 0.68 TRPV1 (0.36) ALDH1A1HPGDHSD17B10MAPTKMT2A
SCHEMBL21398036 0.67 LDHA (0.42) KMT2A

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
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-10-05 US disclosed
EP-3515925-B1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-10-21 EP disclosed
US-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-09-26 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-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES AP2M1, MCU, AP3M1 CYP1A2 3652/4885CYP2D6 3618/4885ALDH1A1 2989/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 CYP1A2 3652/4885CYP2D6 3618/4885ALDH1A1 2989/4885

“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.