SCHEMBL21395873

SCHEMBL21395873

N#Cc1ccc(-c2ccc3c(c2)c2cc(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)ccc2n3-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 10/20 0.43
ABCB1 P08183 5/20 0.43
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
ABCC1 P33527 2/20 0.39
ALDH1A3 P47895 1/20 0.39
PGR P06401 1/20 0.39
MAPK1 P28482 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 0.97 ABCG2 (0.45) ABCG2ABCB1MEN1ALDH1A1CYP1A2
SCHEMBL21395875 0.96 ABCG2 (0.46) ABCG2ABCB1PIK3CDPIK3CAABCC1
SCHEMBL15305785 0.96 ABCG2 (0.46) ABCG2ABCB1MEN1ALDH1A1CYP1A2
SCHEMBL16939472 0.93 CYP1A2 (0.41) ABCG2ABCB1MEN1ALDH1A1CYP1A2
SCHEMBL21395907 0.93 ABCG2 (0.41) ABCG2ABCB1MEN1ALDH1A1CYP1A2
SCHEMBL16809537 0.93 ABCG2 (0.42) ABCG2ABCB1MEN1ALDH1A1CYP1A2
SCHEMBL16809607 0.93 CYP1A2 (0.43) ABCG2ABCB1MEN1ALDH1A1CYP1A2
SCHEMBL16809863 0.93 ABCG2 (0.42) ABCG2ABCB1MEN1ALDH1A1CYP1A2
SCHEMBL15305746 0.92 CYP1A2 (0.40) ABCG2ABCB1MEN1ALDH1A1CYP1A2
SCHEMBL16939431 0.92 CYP1A2 (0.41) ABCG2ABCB1MEN1ALDH1A1CYP1A2

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 2827/4885MEN1 1034/4885

“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.