SCHEMBL22563676

SCHEMBL22563676

N#Cc1cc(C#N)cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc(-n3c4ccccc4c4cc(-c5cc(C#N)cc(C#N)c5)ccc43)c2C#N)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.37
SQOR Q9Y6N5 3/20 0.36
ABCG2 Q9UNQ0 2/20 0.36
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
MAPT P10636 2/20 0.36
ADORA1 P30542 5/20 0.35
ADORA2A P29274 4/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
MAPK1 P28482 2/20 0.35
ABCB1 P08183 1/20 0.35
MYC P01106 1/20 0.35
CYP1A2 P05177 3/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
LMNA P02545 2/20 0.34
TSHR P16473 2/20 0.34

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
SCHEMBL21278730 0.97 MEN1 (0.38) ALDH1A3SQORABCG2MEN1KMT2A
SCHEMBL22563682 0.97 ALDH1A3 (0.39) ALDH1A3SQORABCG2MEN1KMT2A
SCHEMBL19943080 0.95 CYP1A2 (0.38) ALDH1A3ABCG2MEN1KMT2AALDH1A1
SCHEMBL22563554 0.94 ALDH1A3 (0.44) ALDH1A3SQORABCG2MEN1KMT2A
SCHEMBL19909208 0.94 MYC (0.41) ALDH1A3SQORABCG2MEN1KMT2A
SCHEMBL21278720 0.94 MEN1 (0.40) ALDH1A3SQORABCG2MEN1KMT2A
SCHEMBL22563384 0.93 ABCG2 (0.41) ALDH1A3SQORABCG2ADORA1ADORA2A
SCHEMBL22563547 0.92 SQOR (0.40) SQORMEN1KMT2AALDH1A1HPGD
SCHEMBL22563390 0.91 MEN1 (0.42) SQORABCG2MEN1KMT2AALDH1A1
SCHEMBL21414250 0.91 CYP1A2 (0.41) ABCG2MEN1KMT2AALDH1A1HPGD

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 91/4885SQOR 412/4885ABCG2 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.