SCHEMBL21396780

SCHEMBL21396780

N#Cc1ccc(-c2ncccc2-n2c3ccccc3c3ccccc32)c(-n2c3ccccc3c3ccccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.36
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CCNA1 P78396 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
TDO2 P48775 2/20 0.34
HRH1 P35367 1/20 0.34
HTR6 P50406 1/20 0.34
PDE4A P27815 2/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
ELANE P08246 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
SCHEMBL21397011 0.90 PTGER4 (0.36) PTGER4CCNB2CDK1CCNB1CCNA2
SCHEMBL21396787 0.90 TDO2 (0.33) PTGER4CCNB2CDK1CCNB1CCNA2
SCHEMBL21397050 0.88 TDO2 (0.42) TDO2CLK4ELANEGRM5
SCHEMBL21397148 0.87 GRM5 (0.34) CDK2GSK3BGRM5ALDH1A1EGFR
SCHEMBL21758229 0.86 DDB1 (0.40) PTGER4CCNB2CDK1CCNB1CCNA2
SCHEMBL21397013 0.84 PTGER4 (0.36) PTGER4HRH1HTR6PDE4ADDB1
SCHEMBL19051993 0.83 CA1 (0.41) PTGER4CA1CA2ALDH1A1
SCHEMBL21396907 0.83 DDB1 (0.34) PTGER4CCNB2CDK1CCNB1CCNA2
SCHEMBL21758353 0.83 DDB1 (0.36) PTGER4CCNB2CDK1CCNB1CCNA2
SCHEMBL21758352 0.83 DDB1 (0.36) PTGER4CCNB2CDK1CCNB1CCNA2

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 PTGER4 2404/4885CCNB2 2562/4885CDK1 2153/4885

“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.