SCHEMBL21546513

SCHEMBL21546513

N#Cc1cccc(-c2ccc(-n3c4cc(-c5ccccc5)ccc4c4ccc(-c5ccccc5)cc43)c(C#N)c2-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.38
ADORA1 P30542 4/20 0.38
ADORA2A P29274 4/20 0.38
PGR P06401 1/20 0.37
ALDH1A3 P47895 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA4 P48058 1/20 0.37
PDK2 Q15119 1/20 0.37
PTPN5 P54829 1/20 0.36
XDH P47989 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
ADRA2C P18825 1/20 0.36
ADORA2B P29275 3/20 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
SCHEMBL21546966 0.97 CHEK1 (0.36) CHEK1ADORA1ADORA2APGRALDH1A3
SCHEMBL22760699 0.96 CHEK1 (0.38) CHEK1ADORA1ADORA2APGRALDH1A3
SCHEMBL22760888 0.95 PGR (0.37) CHEK1ADORA1ADORA2APGRALDH1A3
SCHEMBL22760886 0.94 CHEK1 (0.35) CHEK1ADORA1ADORA2APGRALDH1A3
SCHEMBL22760995 0.93 CHEK1 (0.36) CHEK1ADORA1ADORA2APGRALDH1A3
SCHEMBL22761143 0.92 PGR (0.38) CHEK1ADORA1ADORA2APGRALDH1A3
SCHEMBL22760915 0.91 CHEK1 (0.35) CHEK1ADORA1ADORA2APGRALDH1A3
SCHEMBL21546514 0.91 CHEK1 (0.38) CHEK1ADORA1ADORA2APGRALDH1A3
SCHEMBL21546903 0.91 ADRA2C (0.36) CHEK1ADORA1ADORA2APGRPDK2
SCHEMBL22760797 0.90 ELANE (0.37) CHEK1ADORA1ADORA2APGRALDH1A3

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 CHEK1 1834/4885ADORA1 4552/4885ADORA2A 3953/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM CHEK1 1834/4885ADORA1 4552/4885ADORA2A 3953/4885

“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.