SCHEMBL21396716

SCHEMBL21396716

N#Cc1cccc(-n2c3ccccc3c3ccccc32)c1-c1cccc(-c2ncccc2-n2c3ccccc3c3ccccc32)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
TDO2 P48775 1/20 0.37
HIF1A Q16665 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CNR2 P34972 1/20 0.35
PLAUR Q03405 1/20 0.34
METAP2 P50579 1/20 0.34
CLK4 Q9HAZ1 1/20 0.33
KCNN4 O15554 1/20 0.33
KCNA5 P22460 1/20 0.33
PDE4B Q07343 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
PDE4D Q08499 1/20 0.33
GRM5 P41594 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
SCHEMBL21397012 0.88 CNR2 (0.36) KDM4EMAPTKMT2AMAPK1HIF1A
SCHEMBL21758527 0.87 KDM4E (0.36) KDM4EMAPTKMT2AMAPK1TDO2
SCHEMBL21758609 0.86 TDO2 (0.39) KMT2ATDO2HIF1ACLK4KCNN4
SCHEMBL21396760 0.86 PDE4B (0.34) HIF1ASMN1; SMN2PDE4B
SCHEMBL21397052 0.85 KDM4E (0.35) KDM4EMAPTKMT2AMAPK1TDO2
SCHEMBL21396722 0.85 USP30 (0.35) KDM4EMAPTKMT2AHIF1ASMN1; SMN2
SCHEMBL21758548 0.84 HRH1 (0.41) KDM4EMAPTKMT2ATDO2HIF1A
SCHEMBL21758540 0.84 AR (0.33) KDM4EMAPTKMT2AMAPK1HIF1A
SCHEMBL21396677 0.84 METAP2 (0.37) KDM4EMAPTKMT2AMAPK1TDO2
SCHEMBL21928083 0.84 METAP2 (0.38) KDM4EMAPTKMT2AMAPK1TDO2

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 1419/4885KMT2A 1792/4885

“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.