SCHEMBL22563463

SCHEMBL22563463

CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1cc(-c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(-n2c3ccccc3c3cc(C(C)(C)C)ccc32)cc1C#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 4/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CTSK P43235 2/20 0.36
CTSS P25774 1/20 0.36
ABCG2 Q9UNQ0 2/20 0.35
ABCB1 P08183 1/20 0.35
SLC22A12 Q96S37 3/20 0.34
TRPV1 Q8NER1 1/20 0.34
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
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
SCHEMBL23487719 0.98 SQOR (0.38) SQORCYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL31273213 0.97 CYP1A2 (0.38) SQORCYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL21279118 0.94 ABCG2 (0.36) SQORCYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL23487796 0.94 SQOR (0.36) SQORCYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL19942752 0.93 ABCG2 (0.38) CYP1A2CYP2C9CYP2C19NPSR1ABCG2
SCHEMBL19909171 0.92 SQOR (0.36) SQORCYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL22563703 0.91 KIF11 (0.35) SQORCYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL21108051 0.90 ABCG2 (0.40) CYP1A2CYP2C9CYP2C19NPSR1CTSK
SCHEMBL23487609 0.90 SQOR (0.36) SQORCYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL21278735 0.90 ABCG2 (0.36) SQORCYP1A2CYP2C9CYP2C19NPSR1

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 SQOR 412/4885CYP1A2 600/4885CYP2C9 336/4885

“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.