SCHEMBL21395945

SCHEMBL21395945

N#Cc1ccc(-c2ccc(-c3ccc4oc5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc5c4c3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 12/20 0.49
ABCB1 P08183 7/20 0.49
PGR P06401 2/20 0.47
TNKS O95271 1/20 0.45
ABCC1 P33527 3/20 0.44
MYC P01106 1/20 0.44
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL21395794 1.00 ABCG2 (0.49) ABCG2ABCB1PGRTNKSABCC1
SCHEMBL21395943 1.00 ABCG2 (0.49) ABCG2ABCB1PGRTNKSABCC1
SCHEMBL21395933 0.96 MEN1 (0.45) ABCG2ABCB1PGRTNKSABCC1
SCHEMBL21395795 0.96 MEN1 (0.45) ABCG2ABCB1PGRTNKSABCC1
SCHEMBL21342517 0.94 MEN1 (0.46) ABCG2ABCB1PGRTNKSABCC1
SCHEMBL22329426 0.93 ABCG2 (0.46) ABCG2ABCB1PGRTNKSABCC1
SCHEMBL22329685 0.93 ABCG2 (0.46) ABCG2ABCB1PGRTNKSABCC1
SCHEMBL21395736 0.93 ALDH1A1 (0.47) ABCG2ABCB1PGRTNKSABCC1
SCHEMBL21396136 0.93 ALDH1A1 (0.47) ABCG2ABCB1PGRTNKSABCC1
SCHEMBL21396142 0.92 CYP1A2 (0.53) ABCG2PGRGABRA1GABRG2GABRB3

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 2827/4885PGR 1369/4885

“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.