SCHEMBL21546575

SCHEMBL21546575

N#Cc1cccc(-c2cc(-n3c4ccccc4c4ccc5c6ccccc6n(-c6ccccc6)c5c43)c(C#N)cc2-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccccc5)c4c32)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CFTR P13569 1/20 0.37
▸ CYP1A2 P05177 8/20 0.36
▸ CYP3A4 P08684 7/20 0.36
▸ ALDH1A1 P00352 5/20 0.36
▸ CYP2D6 P10635 5/20 0.36
▸ TSHR P16473 5/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ LMNA P02545 4/20 0.36
▸ CYP2C19 P33261 4/20 0.36
▸ HSD17B10 Q99714 4/20 0.36
▸ CLK4 Q9HAZ1 3/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ USP2 O75604 2/20 0.36
▸ ALOX15 P16050 1/20 0.36

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
SCHEMBL22761259 0.93 ADORA2A (0.38) ADORA2AKDM4EATML3MBTL1CFTR
SCHEMBL21414216 0.91 KDM4E (0.39) ADORA2AKDM4EATML3MBTL1ALDH1A1
SCHEMBL21546573 0.91 KDM4E (0.36) ADORA2AKDM4EATML3MBTL1CFTR
SCHEMBL21546698 0.86 ENPP1 (0.36) ADORA2AKDM4EATML3MBTL1CFTR
SCHEMBL21546906 0.86 ADORA2A (0.38) ADORA2AKDM4ECFTRCYP1A2CYP3A4
SCHEMBL22760909 0.85 ALDH1A3 (0.40) ADORA2AKDM4ECFTRCYP1A2CYP3A4
SCHEMBL21546936 0.85 ADORA2A (0.36) ADORA2AKDM4ECFTRCYP1A2CYP3A4
SCHEMBL22760610 0.85 ADORA2A (0.36) ADORA2AKDM4ECFTRCYP1A2CYP3A4
SCHEMBL22760662 0.85 ALDH1A3 (0.39) ADORA2AKDM4ECYP1A2CYP3A4ALDH1A1
SCHEMBL17741741 0.84 KDM4E (0.52) KDM4EATML3MBTL1ALDH1A1TSHR

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 3953/4885KDM4E 4571/4885ATM 3780/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM ADORA2A 3953/4885KDM4E 4571/4885ATM 3780/4885

“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.

Send feedback