SCHEMBL22170442

SCHEMBL22170442

N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)c(-n3c4ccccc4c4cc(-c5ccc(C#N)cc5)ccc43)cc2C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.44
GABRA1 P14867 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
ABCG2 Q9UNQ0 2/20 0.39
ABCB1 P08183 1/20 0.39
ALDH1A3 P47895 2/20 0.39
PTGER4 P35408 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ACP1 P24666 1/20 0.35
AKT1 P31749 1/20 0.35
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
SQOR Q9Y6N5 1/20 0.34
ADORA2A P29274 1/20 0.34
PDK2 Q15119 1/20 0.33

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
SCHEMBL19919752 0.98 MYC (0.46) MYCGABRA1GABRG2GABRB3GABRA5
SCHEMBL19909529 0.96 MYC (0.37) MYCGABRA1GABRG2GABRB3GABRA5
SCHEMBL19919818 0.94 MYC (0.44) MYCGABRA1GABRG2GABRB3GABRA5
SCHEMBL19909520 0.94 MYC (0.39) MYCGABRA1GABRG2GABRB3GABRA5
SCHEMBL19919712 0.93 ALDH1A3 (0.43) MYCGABRA1GABRG2GABRB3GABRA5
SCHEMBL19908969 0.93 MYC (0.39) MYCGABRA1GABRG2GABRB3GABRA5
SCHEMBL31272865 0.93 MYC (0.39) MYCGABRA1GABRG2GABRB3GABRA5
SCHEMBL19919630 0.93 ABCG2 (0.39) MYCGABRA1GABRG2GABRB3GABRA5
SCHEMBL23487290 0.92 ABCG2 (0.39) MYCGABRA1GABRG2GABRB3GABRA5
SCHEMBL23341703 0.92 MYC (0.38) MYCGABRG2GABRB3GABRA5GABRA3

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-11588114-B2 Organic molecules for use in optoelectronic devices SAMSUNG DISPLAY CO., LTD. (KR) 2023-02-21 US disclosed
US-20200212316-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-07-02 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 (2 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-20200212316-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OPRM1, OR51E2 MYC 1697/4885GABRA1 2198/4885GABRG2 1265/4885
US-11588114-B2 Organic molecules for use in optoelectronic devices OR10J3, OPRM1, OR51E2 MYC 1697/4885GABRA1 2198/4885GABRG2 1265/4885

“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.