SCHEMBL21397052

SCHEMBL21397052

N#Cc1cccc(-c2cccc(-c3ncccc3-n3c4ccccc4c4ccccc43)c2)c1-n1c2ccccc2c2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
TDO2 P48775 1/20 0.35
GABRA1 P14867 6/20 0.35
GABRG2 P18507 6/20 0.35
GABRB3 P28472 6/20 0.35
GABRA2 P47869 4/20 0.35
GABRA5 P31644 4/20 0.35
GABRA3 P34903 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
CYP11B2 P19099 1/20 0.33
METAP2 P50579 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
PLAUR Q03405 1/20 0.33
ADORA2A P29274 2/20 0.33
AKT1 P31749 1/20 0.32

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
SCHEMBL21396779 0.89 LRRK2 (0.34) KDM4EMAPTMAPK1KMT2ASMN1; SMN2
SCHEMBL21928083 0.88 METAP2 (0.38) KDM4EMAPTMAPK1KMT2ATDO2
SCHEMBL21397049 0.85 GABRA1 (0.36) KDM4EMAPTKMT2AGABRA1GABRG2
SCHEMBL21396716 0.85 KDM4E (0.37) KDM4EMAPTMAPK1KMT2ATDO2
SCHEMBL22378705 0.84 SMN1; SMN2 (0.44) KDM4EKMT2AGABRA1GABRG2GABRB3
SCHEMBL21396659 0.83 SMN1; SMN2 (0.35) SMN1; SMN2HIF1ACYP11B2
SCHEMBL21396741 0.83 TGFBR1 (0.39) GABRA1GABRG2GABRB3GABRA3GSK3B
SCHEMBL22378361 0.82 TRPA1 (0.34) MAPK1GABRA1GABRG2GABRB3GABRA2
SCHEMBL21397054 0.81 NCOA3 (0.37) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL21396677 0.81 METAP2 (0.37) KDM4EMAPTMAPK1KMT2ATDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 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 (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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, SLCO4C1, SLC18A1 KDM4E 955/4885MAPT 1419/4885MAPK1 1528/4885

“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.