SCHEMBL22563377

SCHEMBL22563377

Cc1cc(C)nc(-c2cc(-n3c4ccccc4c4ccc(-c5cc(C#N)cc(C#N)c5)cc43)c(C#N)c(-n3c4ccccc4c4ccc(-c5cc(C#N)cc(C#N)c5)cc43)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.36
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C19 P33261 2/20 0.32
KMT2A Q03164 2/20 0.32
CLK4 Q9HAZ1 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
PTGER4 P35408 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
SCHEMBL22563675 0.95 ABCG2 (0.34) ABCG2IRAK4
SCHEMBL23487785 0.93 ABCG2 (0.44) ABCG2ALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL22563382 0.93 ABCG2 (0.40) ABCG2ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL19909204 0.93 METAP2 (0.33) ALDH1A1MEN1KMT2AHSD17B10IRAK4
SCHEMBL19942700 0.92 PTGER4 (0.33) ALDH1A1MEN1CYP1A2CYP3A4CYP2C19
SCHEMBL23487672 0.91 KDM5B (0.37) ABCG2ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL23487617 0.90 KDM4E (0.38) ABCG2ALDH1A1HSD17B10LMNAKDM4E
SCHEMBL23487778 0.89 PDE9A (0.38) ABCG2ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL22563680 0.89 ABCG2 (0.39) ABCG2ALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL23487668 0.89 ABCG2 (0.41) ABCG2ALDH1A1MEN1CYP1A2CYP3A4

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 2612/4885ALDH1A1 80/4885MEN1 2472/4885

“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.