SCHEMBL19909094

SCHEMBL19909094

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

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PTGER4 P35408 1/20 0.32
PGR P06401 1/20 0.31

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
SCHEMBL19908968 0.96 IRAK4 (0.34) IRAK4
SCHEMBL19909088 0.94 IRAK4 (0.32) IRAK4CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL19919714 0.93 ADORA2A (0.37) CYP1A2CYP2C9CYP2C19PGR
SCHEMBL22170441 0.93 CHEK1 (0.37) CYP1A2CYP2C9CYP2C19NPSR1PTGER4
SCHEMBL21414147 0.92 PGR (0.35) PTGER4PGR
SCHEMBL22563541 0.91 ABCG2 (0.33) IRAK4CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL19913242 0.91 GRIN1 (0.33) CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL19909528 0.90 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL19913261 0.89 ADORA2A (0.39) IRAK4CYP1A2CYP2C9CYP2C19PGR
SCHEMBL19913237 0.89 MAOA (0.34) CYP1A2CYP2C9CYP2C19NPSR1

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 IRAK4 2708/4885CYP1A2 344/4885CYP2C9 102/4885
US-10665792-B2 Organic molecules for use in optoelectronic devices OR10J3, CFD, AOX1 IRAK4 2700/4885CYP1A2 2290/4885CYP2C9 1631/4885
US-11588114-B2 Organic molecules for use in optoelectronic devices OR10J3, OPRM1, OR51E2 IRAK4 2708/4885CYP1A2 344/4885CYP2C9 102/4885

“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.