SCHEMBL22563682

SCHEMBL22563682

N#Cc1cc(C#N)cc(-c2ccc3c(c2)c2cc(-c4cc(C#N)cc(C#N)c4)ccc2n3-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-n3c4ccc(-c5cc(C#N)cc(C#N)c5)cc4c4cc(-c5cc(C#N)cc(C#N)c5)ccc43)c2C#N)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HPGD P15428 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
ADORA1 P30542 5/20 0.37
ADORA2A P29274 4/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
MAPK1 P28482 1/20 0.37
MYC P01106 1/20 0.37
SQOR Q9Y6N5 1/20 0.36
KDM4E B2RXH2 2/20 0.36
PIM1 P11309 1/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 1/20 0.36
NCOA1 Q15788 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36

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
SCHEMBL22563676 0.97 ALDH1A3 (0.37) ALDH1A3MEN1KMT2AHPGDALDH1A1
SCHEMBL21278720 0.97 MEN1 (0.40) ALDH1A3MEN1KMT2AHPGDALDH1A1
SCHEMBL19943079 0.94 CYP1A2 (0.38) ALDH1A3MEN1KMT2AALDH1A1MAPT
SCHEMBL21278730 0.94 MEN1 (0.38) ALDH1A3MEN1KMT2AHPGDALDH1A1
SCHEMBL22563553 0.93 ALDH1A3 (0.46) ALDH1A3MEN1KMT2AHPGDALDH1A1
SCHEMBL19909211 0.93 MYC (0.43) ALDH1A3MEN1KMT2AHPGDALDH1A1
SCHEMBL22563380 0.92 ABCG2 (0.44) ALDH1A3MEN1KMT2AHPGDABCG2
SCHEMBL22563575 0.92 ADORA1 (0.41) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL19943080 0.91 CYP1A2 (0.38) ALDH1A3MEN1KMT2AHPGDALDH1A1
SCHEMBL21414165 0.91 CYP1A2 (0.41) MEN1KMT2AHPGDALDH1A1MAPT

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 ALDH1A3 91/4885MEN1 2472/4885KMT2A 3474/4885

“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.