SCHEMBL21546748

SCHEMBL21546748

N#Cc1cccc(-c2c(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc(C#N)cc2-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.36
CLK4 Q9HAZ1 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
IDO1 P14902 1/20 0.35
CYP1A2 P05177 5/20 0.34
CYP3A4 P08684 4/20 0.34
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 3/20 0.34
CYP2D6 P10635 3/20 0.34
TSHR P16473 3/20 0.34
CYP2C19 P33261 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C9 P11712 1/20 0.34
TP53 P04637 2/20 0.34
MAPT P10636 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
SCHEMBL21546745 1.00 ADORA2A (0.36) ADORA2ACLK4KDM4EATML3MBTL1
SCHEMBL22760926 0.94 ADORA2A (0.36) ADORA2ACLK4KDM4EATML3MBTL1
SCHEMBL21546750 0.94 ADORA2A (0.36) ADORA2ACLK4KDM4EATML3MBTL1
SCHEMBL21414191 0.92 KDM4E (0.37) KDM4EATML3MBTL1ALDH1A1LMNA
SCHEMBL21414189 0.92 KDM4E (0.37) KDM4EATML3MBTL1ALDH1A1LMNA
SCHEMBL21546656 0.91 ADORA2A (0.39) ADORA2ACLK4KDM4EIDO1CYP1A2
SCHEMBL21546744 0.90 MAP4K4 (0.40) ADORA2ACLK4IDO1CYP1A2CYP3A4
SCHEMBL21929194 0.89 IDO1 (0.38) ADORA2ACLK4KDM4EIDO1CYP1A2
SCHEMBL21929020 0.89 IDO1 (0.38) ADORA2ACLK4KDM4EIDO1CYP1A2
SCHEMBL22457923 0.89 ADORA2A (0.37) ADORA2ACLK4KDM4EATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10981930-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-04-20 US disclosed
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-12-10 US disclosed
EP-3478793-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-11-06 EP 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-10981930-B2 Organic molecules for use in optoelectronic devices OR10J3, OR51E2, EPCAM ADORA2A 3953/4885CLK4 4622/4885KDM4E 4571/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM ADORA2A 3953/4885CLK4 4622/4885KDM4E 4571/4885

“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.