SCHEMBL23487284

SCHEMBL23487284

Cc1cc(C)nc(-c2c(-n3c4cc(-c5ccccc5C#N)ccc4c4ccc(-c5ccccc5C#N)cc43)cc(C#N)cc2-n2c3cc(-c4ccccc4C#N)ccc3c3ccc(-c4ccccc4C#N)cc32)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.41
GABRG2 P18507 4/20 0.41
GABRB3 P28472 4/20 0.41
GABRA2 P47869 4/20 0.41
GABRA5 P31644 2/20 0.40
GABRA3 P34903 2/20 0.40
TRPA1 O75762 1/20 0.40
NR3C1 P04150 1/20 0.37
CYP1A2 P05177 5/20 0.36
CYP3A4 P08684 5/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 3/20 0.36
HPGD P15428 3/20 0.36
MAPK1 P28482 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
ABCG2 Q9UNQ0 2/20 0.35
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL22563455 0.97 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL21108787 0.92 TRPA1 (0.40) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL22563444 0.90 AR (0.36) TRPA1NR3C1CYP1A2CYP3A4ALDH1A1
SCHEMBL19919729 0.90 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL22563522 0.89 STS (0.34) ABCG2KMT2A
SCHEMBL22563559 0.89 PTGER4 (0.35) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL19943154 0.89 TRPA1 (0.38) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL22563372 0.88 ABCG2 (0.34) TRPA1NR3C1ABCG2MEN1KMT2A
SCHEMBL19909009 0.88 GABRA1 (0.39) GABRA1GABRG2GABRB3GABRA2GABRA5
SCHEMBL22563570 0.87 ABCG2 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3

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-20210175434-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2021-06-10 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-20210175434-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, OR51E2, OCIAD2 GABRA1 1458/4885GABRG2 1079/4885GABRB3 1508/4885

“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.