SCHEMBL21396688

SCHEMBL21396688

N#Cc1ccc(-n2c3ccccc3c3ccccc32)c(-c2cccc(-c3cccnc3-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
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
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
EGFR P00533 1/20 0.31
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
GRM5 P41594 2/20 0.31
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30

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
SCHEMBL21397014 0.94 DDB1 (0.37) DDB1CRBNBRD4PTGER4CLK4
SCHEMBL21396788 0.91 BRD4 (0.33) DDB1CRBNBRD4PTGER4CLK4
SCHEMBL21396907 0.88 DDB1 (0.34) DDB1CRBNBRD4PTGER4CLK4
SCHEMBL21396661 0.88 DDB1 (0.36) DDB1CRBNBRD4PTGER4KDM4E
SCHEMBL21396968 0.88 DDB1 (0.36) DDB1CRBNBRD4PTGER4KDM4E
SCHEMBL21396732 0.87 USP30 (0.40) BRD4CLK4USP30ELANEABCG2
SCHEMBL21396959 0.86 GRM5 (0.34) BRD4KDM4EALDH1A1MAPTTSHR
SCHEMBL21397013 0.85 PTGER4 (0.36) DDB1CRBNBRD4PTGER4CLK4
SCHEMBL19755264 0.84 CASP3 (0.35) PTGER4ALDH1A1MAPTEGFRSMN1; SMN2
SCHEMBL22379387 0.83 CASP3 (0.35) PTGER4ALDH1A1MAPTEGFRSMN1; SMN2

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 4246/4885BRD4 344/4885

“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.