SCHEMBL21396677

SCHEMBL21396677

N#Cc1cc(-c2ncccc2-n2c3ccccc3c3ccccc32)ccc1-n1c2ccccc2c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HTT P42858 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
CNR2 P34972 1/20 0.36
LRRK2 Q5S007 1/20 0.35
PDK1 Q15118 3/20 0.35
PDK2 Q15119 3/20 0.35
PDK3 Q15120 3/20 0.35
PDK4 Q16654 3/20 0.35
PLAUR Q03405 1/20 0.35
MAPT P10636 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPK1 P28482 1/20 0.35
TDO2 P48775 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
NPSR1 Q6W5P4 3/20 0.35

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
SCHEMBL21396716 0.84 KDM4E (0.37) METAP2KDM4ELMNACNR2LRRK2
SCHEMBL19062209 0.83 IMPDH2 (0.43) ALDH1A1KDM4EHTTLMNAMAPT
SCHEMBL21396680 0.82 CYP11B2 (0.40) METAP2ALDH1A1KDM4ELMNALRRK2
SCHEMBL21397052 0.81 KDM4E (0.35) METAP2ALDH1A1KDM4EHTTPLAUR
SCHEMBL21397012 0.80 CNR2 (0.36) ALDH1A1KDM4ELMNACNR2LRRK2
SCHEMBL21396736 0.80 TDO2 (0.42) TDO2TDP1PDE10AHSD17B10
SCHEMBL21397125 0.80 GRM5 (0.39) KDM4ETDO2
SCHEMBL21927899 0.80 CNR2 (0.42) METAP2ALDH1A1KDM4EHTTCNR2
SCHEMBL21928083 0.79 METAP2 (0.38) METAP2ALDH1A1KDM4EHTTCNR2
SCHEMBL19755308 0.79 IMPDH2 (0.38) ALDH1A1KDM4EKMT2AMEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3543230-B1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO LTD (KR) 2021-05-05 EP disclosed
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 METAP2 4343/4885ALDH1A1 825/4885KDM4E 955/4885

“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.