SCHEMBL22563683

SCHEMBL22563683

Cc1cc(C)nc(-c2cc(-n3c4ccccc4c4ccc(-c5nc(C)nc(C)n5)cc43)c(C#N)c(-n3c4ccccc4c4ccc(-c5nc(C)nc(C)n5)cc43)c2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.33
KDM4E B2RXH2 4/20 0.33
ABCG2 Q9UNQ0 4/20 0.33
HPGD P15428 3/20 0.33
HSD17B10 Q99714 2/20 0.33
PDE9A O76083 1/20 0.32
PDE1C Q14123 1/20 0.32
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
PTGER4 P35408 1/20 0.31
CYP11B2 P19099 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.30
GLA P06280 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
XBP1 P17861 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL19943081 0.96 PDE9A (0.34) ALDH1A1KDM4EHPGDHSD17B10PDE9A
SCHEMBL22563679 0.94 KDM4E (0.32) ALDH1A1KDM4EABCG2HPGDHSD17B10
SCHEMBL19909215 0.94 ALDH1A1 (0.33) ALDH1A1KDM4EHPGDHSD17B10PDE9A
SCHEMBL22563680 0.91 ABCG2 (0.39) ALDH1A1KDM4EABCG2HPGDHSD17B10
SCHEMBL19943082 0.91 L3MBTL1 (0.41) ALDH1A1KDM4EHPGDHSD17B10PDE9A
SCHEMBL21278713 0.91 ALDH1A1 (0.32) ALDH1A1KDM4EHPGDHSD17B10PDE9A
SCHEMBL24656014 0.90 L3MBTL1 (0.36) ALDH1A1KDM4EHPGDHSD17B10PDE9A
SCHEMBL23487617 0.90 KDM4E (0.38) ALDH1A1KDM4EABCG2HPGDHSD17B10
SCHEMBL19943077 0.90 NPSR1 (0.32) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL23487778 0.89 PDE9A (0.38) ALDH1A1KDM4EABCG2HPGDHSD17B10

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 ALDH1A1 80/4885KDM4E 4619/4885ABCG2 2612/4885

“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.