SCHEMBL21364581

SCHEMBL21364581

N#Cc1ccc(-c2ccc(-n3c4ccccc4c4cc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc43)c(-c3cc(-n4c5ccccc5c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)ccc54)ccc3-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 9/20 0.35
ABCB1 P08183 4/20 0.35
PTGER4 P35408 1/20 0.35
CYP1A2 P05177 3/20 0.34
CYP3A4 P08684 3/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CYP2C19 P33261 2/20 0.34
KMT2A Q03164 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
LMNA P02545 2/20 0.34
CYP2D6 P10635 2/20 0.34
PGR P06401 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
ABCC1 P33527 1/20 0.32
SRC P12931 1/20 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
SCHEMBL21364371 0.99 ABCG2 (0.35) ABCG2ABCB1PTGER4CYP1A2CYP3A4
SCHEMBL21364368 0.97 ABCG2 (0.35) ABCG2ABCB1PTGER4CYP1A2CYP3A4
SCHEMBL22242984 0.96 PTGER4 (0.36) ABCG2ABCB1PTGER4CYP1A2CYP3A4
SCHEMBL21364852 0.96 ABCG2 (0.35) ABCG2ABCB1PTGER4CYP1A2CYP3A4
SCHEMBL21364360 0.96 ABCG2 (0.37) ABCG2ABCB1PGRPIK3CDPIK3CA
SCHEMBL22243162 0.95 PTGER4 (0.35) ABCG2ABCB1PTGER4CYP1A2CYP3A4
SCHEMBL21364580 0.95 PTGER4 (0.37) ABCG2ABCB1PTGER4CYP1A2CYP3A4
SCHEMBL21364576 0.95 PTGER4 (0.36) ABCG2ABCB1PTGER4CYP1A2CYP3A4
SCHEMBL20794297 0.94 CYP1A2 (0.37) ABCG2ABCB1PTGER4CYP1A2CYP3A4
SCHEMBL21364470 0.94 CYP1A2 (0.39) ABCG2PTGER4CYP1A2CYP3A4MEN1

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 1278/4885PTGER4 1462/4885
US-11161836-B2 Organic molecules for optoelectronic devices OR10J3, OR51E2, OCIAD2 ABCG2 3275/4885ABCB1 1278/4885PTGER4 1462/4885

“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.