SCHEMBL22563541

SCHEMBL22563541

Cc1cc(C)nc(-c2cc(-n3c4ccccc4c4ccc(-c5cc(C#N)cc(C#N)c5)cc43)c(C#N)cc2-n2c3ccccc3c3ccc(-c4cc(C#N)cc(C#N)c4)cc32)n1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
IRAK4 Q9NWZ3 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
SCHEMBL22563466 0.96 IRAK4 (0.33) IRAK4
SCHEMBL22563512 0.94 ABCG2 (0.33) ABCG2IRAK4
SCHEMBL23487291 0.93 ABCG2 (0.37) ABCG2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL19943184 0.92 CYP1A2 (0.33) CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL19909094 0.91 IRAK4 (0.32) CYP1A2CYP2C9CYP2C19NPSR1IRAK4
SCHEMBL23487624 0.91 CYP1A2 (0.34) ABCG2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL23487723 0.91 CYP1A2 (0.40) ABCG2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL22268549 0.90 ABCG2 (0.35) ABCG2CYP1A2CYP2C9CYP2C19IRAK4
SCHEMBL23487597 0.90 NPSR1 (0.34) ABCG2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL22563461 0.89 ABCG2 (0.40) ABCG2CYP1A2CYP2C9CYP2C19NPSR1

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 ABCG2 2612/4885CYP1A2 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.