SCHEMBL21396907

SCHEMBL21396907

N#Cc1ccc(-n2c3ccccc3c3ccccc32)c(-c2cccc(-c3ncccc3-n3c4ccccc4c4ccccc43)c2C#N)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
TDO2 P48775 1/20 0.33
PTGER4 P35408 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
CCNA1 P78396 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
ELANE P08246 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL21396787 0.91 TDO2 (0.33) TDO2PTGER4CLK4CCNB2CDK1
SCHEMBL21397011 0.90 PTGER4 (0.36) DDB1CRBNTDO2PTGER4CLK4
SCHEMBL21758229 0.89 DDB1 (0.40) DDB1CRBNTDO2PTGER4CLK4
SCHEMBL21396688 0.88 DDB1 (0.34) DDB1CRBNPTGER4CLK4ELANE
SCHEMBL19755264 0.86 CASP3 (0.35) PTGER4ALDH1A1MAPTEGFRSMN1; SMN2
SCHEMBL22379387 0.85 CASP3 (0.35) PTGER4ALDH1A1MAPTEGFRSMN1; SMN2
SCHEMBL21758352 0.85 DDB1 (0.36) DDB1CRBNTDO2PTGER4CCNB2
SCHEMBL21758353 0.85 DDB1 (0.36) DDB1CRBNTDO2PTGER4CCNB2
SCHEMBL21758187 0.84 IDO1 (0.37) DDB1CRBNTDO2PTGER4ELANE
SCHEMBL21758230 0.84 DDB1 (0.40) DDB1CRBNCLK4CCNB2CDK1

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 DDB1 2216/4885CRBN 4246/4885TDO2 1258/4885

“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.