SCHEMBL22563385

SCHEMBL22563385

Cc1cc(C)nc(-c2cc(-n3c4ccccc4c4ccc(-c5ccc(C#N)cc5C#N)cc43)c(C#N)c(-n3c4ccccc4c4ccc(-c5ccc(C#N)cc5C#N)cc43)c2)n1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 5/20 0.35
STS P08842 1/20 0.33
PTGER4 P35408 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
GABRA1 P14867 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA2 P47869 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GRM5 P41594 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 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
SCHEMBL22563387 0.95 STS (0.34) ABCG2STSFFAR4GABRA1GABRG2
SCHEMBL19942698 0.93 PTGER4 (0.35) STSPTGER4FFAR4ALDH1A1HSD17B10
SCHEMBL19909200 0.92 STS (0.34) STSPTGER4FFAR4GABRA1GABRG2
SCHEMBL23487681 0.90 TRPA1 (0.38) ABCG2GABRA1GABRG2GABRB3GABRA2
SCHEMBL22268551 0.89 STS (0.35) ABCG2STSPTGER4FFAR4GABRA1
SCHEMBL23487300 0.89 STS (0.35) ABCG2STSPTGER4FFAR4GABRA1
SCHEMBL23487668 0.89 ABCG2 (0.41) ABCG2PTGER4KDM4EALDH1A1HPGD
SCHEMBL23487696 0.89 STS (0.34) ABCG2STSPTGER4FFAR4GABRA1
SCHEMBL22563382 0.88 ABCG2 (0.40) ABCG2PTGER4KDM4EALDH1A1HPGD
SCHEMBL21279097 0.88 STS (0.32) STSPTGER4FFAR4GABRA1GABRG2

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
US-20210175434-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2021-06-10 US disclosed
EP-3580300-B1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-10-21 EP 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-20210175434-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, OR51E2, OCIAD2 ABCG2 2612/4885STS 3725/4885PTGER4 1486/4885

“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.