SCHEMBL22563700

SCHEMBL22563700

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 4/20 0.34
NPSR1 Q6W5P4 4/20 0.34
ABCG2 Q9UNQ0 4/20 0.32
HPGD P15428 4/20 0.32
HSD17B10 Q99714 1/20 0.32
HTT P42858 2/20 0.32
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KIF11 P52732 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
MAPK1 P28482 1/20 0.31
PTGER4 P35408 1/20 0.30
CYP11B2 P19099 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
SCHEMBL23487282 0.94 ALDH1A1 (0.36) ALDH1A1KDM4ENPSR1ABCG2HPGD
SCHEMBL19942706 0.92 PTGER4 (0.32) ALDH1A1KDM4ENPSR1ABCG2MAPT
SCHEMBL19909192 0.91 ALDH1A1 (0.35) ALDH1A1KDM4ENPSR1HPGDHSD17B10
SCHEMBL22563510 0.91 KIF11 (0.43) ALDH1A1KDM4EABCG2HPGDHSD17B10
SCHEMBL22563497 0.87 KDM4E (0.34) ALDH1A1KDM4ENPSR1ABCG2HPGD
SCHEMBL23487618 0.87 KDM4E (0.34) ALDH1A1KDM4ENPSR1ABCG2HPGD
SCHEMBL22563684 0.87 PDE9A (0.35) ALDH1A1KDM4ENPSR1ABCG2HPGD
SCHEMBL21278717 0.87 ALDH1A1 (0.32) ALDH1A1KDM4ENPSR1HPGDHSD17B10
SCHEMBL23487668 0.86 ABCG2 (0.41) ALDH1A1KDM4EABCG2HPGDHSD17B10
SCHEMBL19913301 0.85 ALDH1A1 (0.38) ALDH1A1KDM4ENPSR1HPGDHSD17B10

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 4619/4885NPSR1 1484/4885

“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.