SCHEMBL21397014

SCHEMBL21397014

N#Cc1ccc(-n2c3ccccc3c3ccccc32)c(-c2cccnc2-n2c3ccccc3c3ccccc32)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
PTGER4 P35408 1/20 0.36
BRD4 O60885 2/20 0.34
EGFR P00533 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
CASP3 P42574 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
PDE4A P27815 1/20 0.32
USP30 Q70CQ3 1/20 0.32
ELANE P08246 1/20 0.32
IDO1 P14902 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CRHR1 P34998 2/20 0.32

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
SCHEMBL21396688 0.94 DDB1 (0.34) DDB1CRBNPTGER4BRD4EGFR
SCHEMBL21396661 0.93 DDB1 (0.36) DDB1CRBNPTGER4BRD4EGFR
SCHEMBL21396968 0.93 DDB1 (0.36) DDB1CRBNPTGER4BRD4EGFR
SCHEMBL21397013 0.90 PTGER4 (0.36) DDB1CRBNPTGER4BRD4EGFR
SCHEMBL21396732 0.90 USP30 (0.40) BRD4GABRA1GABRG2GABRB3GABRA5
SCHEMBL21396959 0.89 GRM5 (0.34) BRD4EGFRCRHR1
SCHEMBL21396759 0.89 RORC (0.35) DDB1CRBNPTGER4EGFRGABRA1
SCHEMBL21396914 0.87 GABRA1 (0.36) DDB1CRBNGABRA1GABRG2GABRB3
SCHEMBL21396915 0.87 IDO1 (0.37) DDB1CRBNBRD4GABRA1GABRG2
SCHEMBL21397142 0.86 CSNK1A1 (0.40) DDB1CRBNPTGER4EGFRGABRA1

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 DDB1 2216/4885CRBN 4246/4885PTGER4 2404/4885

“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.