SCHEMBL21364584

SCHEMBL21364584

N#Cc1ccc(-c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)c(-c3cccc(-n4c5ccc(-c6ccccc6)cc5c5cc(-c6ccccc6)ccc54)c3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 12/20 0.39
ABCB1 P08183 7/20 0.39
ABCC1 P33527 3/20 0.38
ALDH1A3 P47895 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 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
SCHEMBL21364587 0.97 ABCG2 (0.37) ABCG2ABCB1ABCC1ALDH1A3MEN1
SCHEMBL21364732 0.97 ABCG2 (0.37) ABCG2ABCB1ABCC1ALDH1A3MEN1
SCHEMBL24084249 0.97 ABCG2 (0.38) ABCG2ABCB1ABCC1ALDH1A3MEN1
SCHEMBL21364858 0.97 ABCG2 (0.38) ABCG2ABCB1ABCC1ALDH1A3MEN1
SCHEMBL21364590 0.96 CYP1A2 (0.37) ABCG2ABCB1ABCC1MEN1ALDH1A1
SCHEMBL21364282 0.96 CYP1A2 (0.40) ABCG2ABCB1ALDH1A3MEN1ALDH1A1
SCHEMBL21364864 0.95 ABCG2 (0.37) ABCG2ABCB1ABCC1ALDH1A3MEN1
SCHEMBL21364867 0.94 ABCG2 (0.36) ABCG2ABCB1ABCC1ALDH1A3MEN1
SCHEMBL21364296 0.94 CYP1A2 (0.43) ABCG2ABCB1ALDH1A3MEN1ALDH1A1
SCHEMBL21364942 0.94 CYP1A2 (0.40) ABCG2ABCB1ABCC1ALDH1A3MEN1

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-11161836-B2 Organic molecules for optoelectronic devices CYNORA GMBH (DE) 2021-11-02 US disclosed
US-20190284174-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-19 US 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 (2 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-20190284174-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES OR10J3, OR51E2, OCIAD2 ABCG2 3275/4885ABCB1 1278/4885ABCC1 2457/4885
US-11161836-B2 Organic molecules for optoelectronic devices OR10J3, OR51E2, OCIAD2 ABCG2 3275/4885ABCB1 1278/4885ABCC1 2457/4885

“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.