SCHEMBL22563556

SCHEMBL22563556

Cc1cc(C)nc(-c2c(-n3c4ccc(-c5cccc(C#N)c5)cc4c4cc(-c5cccc(C#N)c5)ccc43)cc(C#N)cc2-n2c3ccc(-c4cccc(C#N)c4)cc3c3cc(-c4cccc(C#N)c4)ccc32)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.43
CLK4 Q9HAZ1 5/20 0.39
CYP1A2 P05177 5/20 0.39
CYP3A4 P08684 5/20 0.39
ALDH1A1 P00352 4/20 0.39
MAP4K4 O95819 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
USP2 O75604 1/20 0.38
HIF1A Q16665 1/20 0.38
ALDH1A3 P47895 1/20 0.37
PGR P06401 1/20 0.37
CYP2C19 P33261 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
F11 P03951 1/20 0.37

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
SCHEMBL19943155 0.91 CYP1A2 (0.41) CLK4CYP1A2CYP3A4ALDH1A1MAP4K4
SCHEMBL23487285 0.91 ABCG2 (0.43) ABCG2CLK4CYP1A2CYP3A4ALDH1A1
SCHEMBL19909501 0.90 CYP1A2 (0.40) ABCG2CLK4CYP1A2CYP3A4ALDH1A1
SCHEMBL22563368 0.89 ABCG2 (0.43) ABCG2CLK4CYP1A2CYP3A4ALDH1A1
SCHEMBL22563366 0.88 MAPKAPK2 (0.38) ABCG2ALDH1A1PGR
SCHEMBL21279107 0.86 CYP1A2 (0.39) ABCG2CLK4CYP1A2CYP3A4ALDH1A1
SCHEMBL23487586 0.86 PTGER4 (0.39) ABCG2ALDH1A1HSD17B10LMNA
SCHEMBL21546476 0.85 MAP4K4 (0.44) CLK4CYP1A2CYP3A4ALDH1A1MAP4K4
SCHEMBL19943151 0.84 CYP1A2 (0.45) ABCG2CLK4CYP1A2CYP3A4ALDH1A1
SCHEMBL21546666 0.84 MAP4K4 (0.41) CLK4CYP1A2CYP3A4ALDH1A1MAP4K4

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 2612/4885CLK4 3660/4885CYP1A2 600/4885

“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.