SCHEMBL22563535

SCHEMBL22563535

Cc1cc(C)nc(-c2cc(-n3c4cc(-c5ccc(C#N)cc5)ccc4c4ccc(-c5ccc(C#N)cc5)cc43)c(C#N)cc2-n2c3cc(-c4ccc(C#N)cc4)ccc3c3ccc(-c4ccc(C#N)cc4)cc32)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.39
ABCG2 Q9UNQ0 2/20 0.35
HSD11B1 P28845 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CA P42336 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ATM Q13315 1/20 0.33
GRM2 Q14416 1/20 0.33
CYP11B2 P19099 2/20 0.33
FFAR1 O14842 1/20 0.32
PGR P06401 1/20 0.32
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
MTOR P42345 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
SCHEMBL23487291 0.96 ABCG2 (0.37) CHEK1ABCG2HSD11B1HRH4PIK3CD
SCHEMBL22563466 0.92 IRAK4 (0.33) CHEK1IRAK4
SCHEMBL23487701 0.92 CHEK1 (0.39) CHEK1ABCG2HSD11B1HRH4PIK3CD
SCHEMBL23487691 0.92 AR (0.36) CYP11B2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL19943176 0.91 CHEK1 (0.39) CHEK1HRH4PIK3CDPIK3CAKMT2A
SCHEMBL22563704 0.91 CYP1A2 (0.41) ABCG2CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL23487607 0.91 SCARB1 (0.34) ABCG2CYP11B2FFAR1CYP1A2CYP2C9
SCHEMBL22563536 0.90 STS (0.34) CHEK1ABCG2CYP11B2PTGER4
SCHEMBL19909097 0.90 CHEK1 (0.39) CHEK1HSD11B1HRH4PIK3CDPIK3CA
SCHEMBL23487699 0.89 ABCG2 (0.37) CHEK1ABCG2HSD11B1HRH4PIK3CD

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 CHEK1 2408/4885ABCG2 2612/4885HSD11B1 2836/4885

“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.