SCHEMBL21396788

SCHEMBL21396788

N#Cc1ccc(-c2cccc(-c3cccnc3-n3c4ccccc4c4ccccc43)c2C#N)c(-n2c3ccccc3c3ccccc32)c1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.33
PTGER4 P35408 1/20 0.33
CLK4 Q9HAZ1 1/20 0.32
USP30 Q70CQ3 1/20 0.32
ELANE P08246 1/20 0.32
GRM5 P41594 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
CYP11B2 P19099 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PDE4A P27815 1/20 0.31
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 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
SCHEMBL21397013 0.94 PTGER4 (0.36) BRD4PTGER4CLK4USP30ELANE
SCHEMBL21396688 0.91 DDB1 (0.34) BRD4PTGER4CLK4USP30ELANE
SCHEMBL21396787 0.88 TDO2 (0.33) BRD4PTGER4CLK4ELANEGRM5
SCHEMBL21396733 0.87 USP30 (0.40) BRD4CLK4USP30ELANEGRM5
SCHEMBL21397149 0.86 GRM5 (0.34) BRD4GRM5KDM4EALDH1A1MAPT
SCHEMBL21397014 0.85 DDB1 (0.37) BRD4PTGER4CLK4USP30ELANE
SCHEMBL19755262 0.84 CA1 (0.35) PTGER4KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL22378636 0.83 CA1 (0.34) PTGER4KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL21396785 0.83 CYP11B2 (0.36) PTGER4CYP11B2
SCHEMBL21396786 0.82 CYP11B2 (0.36) PTGER4CYP11B2

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 BRD4 344/4885PTGER4 2404/4885CLK4 2373/4885

“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.