SCHEMBL21395875

SCHEMBL21395875

N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)ccc2n3-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 13/20 0.46
ABCB1 P08183 8/20 0.46
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
ABCC1 P33527 3/20 0.41
ALDH1A3 P47895 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
PGR P06401 1/20 0.41
MYC P01106 1/20 0.39

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
SCHEMBL21395808 0.99 ABCG2 (0.45) ABCG2ABCB1PIK3CDPIK3CAABCC1
SCHEMBL15305785 0.97 ABCG2 (0.46) ABCG2ABCB1PIK3CDPIK3CAABCC1
SCHEMBL21395873 0.96 ABCG2 (0.43) ABCG2ABCB1PIK3CDPIK3CAABCC1
SCHEMBL16809863 0.96 ABCG2 (0.42) ABCG2ABCB1PIK3CDPIK3CAABCC1
SCHEMBL16809537 0.96 ABCG2 (0.42) ABCG2ABCB1PIK3CDPIK3CAABCC1
SCHEMBL21396063 0.95 ABCG2 (0.42) ABCG2ABCB1PIK3CDPIK3CAABCC1
SCHEMBL21395907 0.94 ABCG2 (0.41) ABCG2ABCB1PIK3CDPIK3CAABCC1
SCHEMBL17897500 0.94 KDM4E (0.44) ABCG2ABCB1PIK3CDPIK3CAABCC1
SCHEMBL16809607 0.94 CYP1A2 (0.43) ABCG2ABCB1PIK3CDPIK3CAABCC1
SCHEMBL21215262 0.92 ABCG2 (0.44) ABCG2ABCB1PIK3CDPIK3CAABCC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190292169-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 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 (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-20190292169-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME LAGE3, PPOX, SUN2 ABCG2 2985/4885ABCB1 2827/4885PIK3CD 4712/4885

“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.