SCHEMBL21396787

SCHEMBL21396787

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.33
PTGER4 P35408 1/20 0.32
EGLN2 Q96KS0 6/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 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

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
SCHEMBL21396907 0.91 DDB1 (0.34) TDO2PTGER4CLK4CCNB2CDK1
SCHEMBL21396780 0.90 PTGER4 (0.36) TDO2PTGER4CLK4CCNB2CDK1
SCHEMBL21396788 0.88 BRD4 (0.33) PTGER4CLK4ELANEKDM4EALDH1A1
SCHEMBL19755262 0.86 CA1 (0.35) PTGER4PDCD1CD274KDM4EALDH1A1
SCHEMBL22378636 0.85 CA1 (0.34) PTGER4PDCD1CD274KDM4EALDH1A1
SCHEMBL21397050 0.83 TDO2 (0.42) TDO2CLK4ELANEGRM5
SCHEMBL21397011 0.83 PTGER4 (0.36) TDO2PTGER4CLK4CCNB2CDK1
SCHEMBL21397148 0.83 GRM5 (0.34) CDK2GSK3BKDM4EALDH1A1MAPT
SCHEMBL21396785 0.82 CYP11B2 (0.36) PTGER4
SCHEMBL21397013 0.82 PTGER4 (0.36) PTGER4CLK4ELANEGRM5BRD4

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 TDO2 1258/4885PTGER4 2404/4885EGLN2 1023/4885

“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.