SCHEMBL22563501

SCHEMBL22563501

N#Cc1cc(C#N)cc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C#N)c(-c3nc(-c4ccccc4)cc(-c4ccccc4)n3)cc2-n2c3ccccc3c3cc(-c4cc(C#N)cc(C#N)c4)ccc32)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.36
ABCG2 Q9UNQ0 2/20 0.34
ABCB1 P08183 1/20 0.34
MYC P01106 1/20 0.34
SQOR Q9Y6N5 3/20 0.33
PTGER4 P35408 1/20 0.33
CSNK2A1 P68400 1/20 0.33
GRM5 P41594 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
MEN1 O00255 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
METAP2 P50579 1/20 0.32
MAPK1 P28482 2/20 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
SCHEMBL23487309 0.97 ALDH1A3 (0.38) ALDH1A3ABCG2ABCB1MYCCSNK2A1
SCHEMBL21278827 0.94 ABCG2 (0.36) ALDH1A3ABCG2ABCB1MYCSQOR
SCHEMBL22563457 0.94 ALDH1A3 (0.36) ALDH1A3ABCG2ABCB1MYCSQOR
SCHEMBL23487630 0.94 ALDH1A3 (0.43) ALDH1A3ABCG2GRM5GABRA1GABRG2
SCHEMBL19943167 0.94 CYP1A2 (0.37) ALDH1A3ABCG2ABCB1PTGER4MEN1
SCHEMBL23487700 0.93 ABCG2 (0.39) ALDH1A3ABCG2ABCB1MYCSQOR
SCHEMBL22563491 0.93 SQOR (0.36) SQORCSNK2A1MEN1KMT2AHPGD
SCHEMBL19909089 0.92 MYC (0.39) ALDH1A3ABCG2ABCB1MYCSQOR
SCHEMBL22563470 0.92 ALDH1A3 (0.38) ALDH1A3ABCG2ABCB1MYCSQOR
SCHEMBL23487346 0.91 MEN1 (0.40) ABCG2SQORCSNK2A1MEN1ALDH1A1

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 91/4885ABCG2 2612/4885ABCB1 1179/4885

“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.