SCHEMBL19908972

SCHEMBL19908972

N#Cc1cc(C#N)cc(-c2ccc3c(c2)c2cc(-c4cc(C#N)cc(C#N)c4)ccc2n3-c2cc(-c3cc(-c4ccccc4)nc(-c4ccccc4)c3)c(-n3c4ccc(-c5cc(C#N)cc(C#N)c5)cc4c4cc(-c5cc(C#N)cc(C#N)c5)ccc43)cc2C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.40
ALDH1A3 P47895 2/20 0.38
GABRG2 P18507 3/20 0.36
GABRB3 P28472 3/20 0.36
GABRA5 P31644 3/20 0.36
GABRA3 P34903 3/20 0.36
GABRA1 P14867 2/20 0.36
ABCG2 Q9UNQ0 2/20 0.35
ABCB1 P08183 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
SQOR Q9Y6N5 3/20 0.34
CSNK2A1 P68400 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
PIM1 P11309 1/20 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
SCHEMBL19908969 0.98 MYC (0.39) MYCALDH1A3GABRG2GABRB3GABRA5
SCHEMBL19919715 0.94 ALDH1A3 (0.45) MYCALDH1A3GABRG2GABRB3GABRA5
SCHEMBL19919454 0.93 MYC (0.41) MYCALDH1A3GABRG2GABRB3GABRA5
SCHEMBL19919752 0.93 MYC (0.46) MYCALDH1A3GABRG2GABRB3GABRA5
SCHEMBL19909520 0.92 MYC (0.39) MYCGABRG2GABRB3GABRA5GABRA3
SCHEMBL19909089 0.92 MYC (0.39) MYCALDH1A3GABRG2GABRB3GABRA5
SCHEMBL19919712 0.92 ALDH1A3 (0.43) MYCALDH1A3GABRG2GABRB3GABRA5
SCHEMBL22563470 0.92 ALDH1A3 (0.38) MYCALDH1A3GABRG2GABRB3GABRA5
SCHEMBL22170442 0.91 MYC (0.44) MYCALDH1A3GABRG2GABRB3GABRA5
SCHEMBL22562239 0.91 ALDH1A3 (0.39) MYCALDH1A3GABRG2GABRB3GABRA5

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 5 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
US-10665792-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2020-05-26 US disclosed
US-20180062085-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 US disclosed
EP-3287451-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-28 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 (3 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 1697/4885ALDH1A3 38/4885GABRG2 1265/4885
US-10665792-B2 Organic molecules for use in optoelectronic devices OR10J3, CFD, AOX1 MYC 1636/4885ALDH1A3 192/4885GABRG2 3357/4885
US-11588114-B2 Organic molecules for use in optoelectronic devices OR10J3, OPRM1, OR51E2 MYC 1697/4885ALDH1A3 38/4885GABRG2 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.