SCHEMBL19909533

SCHEMBL19909533

CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1cc(C#N)c(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1-n1c2ccccc2c2cc(C(C)(C)C)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 4/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
ABCB1 P08183 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
SLC22A12 Q96S37 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
CSNK2A1 P68400 1/20 0.33
GABRA1 P14867 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
MAPK1 P28482 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
SCHEMBL19919435 0.97 GABRG2 (0.38) SQORGABRG2GABRB3GABRA5GABRA3
SCHEMBL19909171 0.94 SQOR (0.36) SQORGABRG2GABRB3GABRA5GABRA3
SCHEMBL23487796 0.92 SQOR (0.36) SQORGABRG2GABRB3GABRA5GABRA3
SCHEMBL19913221 0.92 SQOR (0.38) SQORGABRG2GABRB3GABRA5GABRA3
SCHEMBL19909073 0.91 KIF11 (0.35) SQORGABRG2GABRB3GABRA5GABRA3
SCHEMBL22562250 0.91 GABRG2 (0.34) SQORGABRG2GABRB3GABRA5GABRA3
SCHEMBL21278735 0.90 ABCG2 (0.36) SQORGABRG2GABRB3GABRA5GABRA3
SCHEMBL23487609 0.88 SQOR (0.36) SQORGABRG2GABRB3GABRA5GABRA3
SCHEMBL19919743 0.88
SCHEMBL22563463 0.88 SQOR (0.36) SQORGABRG2GABRB3GABRA5GABRA3

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 4 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-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 (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 SQOR 1580/4885GABRG2 1265/4885GABRB3 497/4885
US-11588114-B2 Organic molecules for use in optoelectronic devices OR10J3, OPRM1, OR51E2 SQOR 1580/4885GABRG2 1265/4885GABRB3 497/4885

“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.