SCHEMBL21546978

SCHEMBL21546978

N#Cc1cccc(-c2ccc(-n3c4ccc(-c5ncccn5)cc4c4cc(-c5ncccn5)ccc43)c(C#N)c2-n2c3ccc(-c4ncccn4)cc3c3cc(-c4ncccn4)ccc32)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 4/20 0.52
GRM5 P41594 7/20 0.39
CYP1A2 P05177 4/20 0.38
CYP3A4 P08684 4/20 0.38
CYP2D6 P10635 3/20 0.38
CYP2C19 P33261 3/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
ELANE P08246 1/20 0.36
MAP4K4 O95819 1/20 0.36
SLC6A7 Q99884 1/20 0.35
KIT P10721 1/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ADORA2A P29274 1/20 0.35
NTRK1 P04629 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
SCHEMBL21546974 0.96 CLK4 (0.48) CLK4GRM5CYP1A2CYP3A4CYP2D6
SCHEMBL21546976 0.92 CLK4 (0.52) CLK4GRM5CYP1A2CYP3A4CYP2D6
SCHEMBL22760695 0.90 MAP4K4 (0.38) CLK4CYP1A2CYP3A4ALDH1A1MAP4K4
SCHEMBL21546714 0.90 CLK4 (0.48) CLK4GRM5CYP1A2CYP3A4CYP2D6
SCHEMBL21546960 0.89 CYP1A2 (0.43) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL21546514 0.87 CHEK1 (0.38) CLK4CYP1A2CYP3A4CYP2D6HSD17B10
SCHEMBL22760994 0.87 MAP4K4 (0.36) CLK4CYP1A2CYP3A4ALDH1A1MAP4K4
SCHEMBL22760932 0.87 PGR (0.37) CLK4CYP1A2CYP3A4ALDH1A1MAP4K4
SCHEMBL22760823 0.87 CYP1A2 (0.37) CLK4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL21546904 0.87 ADRA2C (0.36) CLK4GRM5CYP1A2CYP3A4CYP2D6

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 CLK4 4622/4885GRM5 3532/4885CYP1A2 512/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM CLK4 4622/4885GRM5 3532/4885CYP1A2 512/4885

“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.