SCHEMBL21396915

SCHEMBL21396915

Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(C#N)cc1-c1cccnc1-n1c2ccc(C)cc2c2cc(C)ccc21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.37
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
ELANE P08246 1/20 0.35
BRD4 O60885 2/20 0.34
CASP3 P42574 1/20 0.33
PDE4A P27815 1/20 0.33
CRHR1 P34998 1/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
POLB P06746 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2A6 P11509 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
SCHEMBL21397014 0.87 DDB1 (0.37) IDO1DDB1CRBNELANEBRD4
SCHEMBL21758191 0.86 IDO1 (0.37) IDO1DDB1CRBNELANECASP3
SCHEMBL21396913 0.86 IDO1 (0.37) IDO1DDB1CRBNBRD4
SCHEMBL18361124 0.85 CASP3 (0.43) CASP3GABRG2GABRB3GABRA5GABRA1
SCHEMBL21396914 0.84 GABRA1 (0.36) DDB1CRBNGABRG2GABRB3GABRA5
SCHEMBL17952754 0.83 ALDH1A1 (0.40) IDO1PTGDR2POLBALDH1A1
SCHEMBL21396661 0.83 DDB1 (0.36) DDB1CRBNBRD4ALDH1A1
SCHEMBL21396968 0.83 DDB1 (0.36) DDB1CRBNBRD4ALDH1A1
SCHEMBL21758187 0.82 IDO1 (0.37) IDO1DDB1CRBNELANEPDE4A
SCHEMBL21396688 0.82 DDB1 (0.34) DDB1CRBNELANEBRD4PDE4A

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 IDO1 3019/4885DDB1 2216/4885CRBN 4246/4885

“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.