SCHEMBL21928633

SCHEMBL21928633

N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(-c3ccccc3C#N)c(-n3c4ccccc4c4cc(-c5ccc(C#N)cc5)ccc43)cn2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.38
CYP1A2 P05177 4/20 0.35
CYP3A4 P08684 4/20 0.35
HSD17B10 Q99714 3/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
TRPA1 O75762 1/20 0.34
NR3C1 P04150 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
MAP4K4 O95819 1/20 0.33
TDO2 P48775 1/20 0.33
GABRA1 P14867 3/20 0.33

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
SCHEMBL21928644 0.97 CYP1A2 (0.36) CYP1A2CYP3A4HSD17B10HPGDKDM4E
SCHEMBL21928628 0.95 PTGER4 (0.37) PTGER4CYP1A2CYP3A4HSD17B10HPGD
SCHEMBL21929062 0.94 ALDH1A1 (0.37) CYP1A2CYP3A4HSD17B10HPGDKDM4E
SCHEMBL21929319 0.93 PTGER4 (0.35) PTGER4CYP1A2CYP3A4HSD17B10HPGD
SCHEMBL21928607 0.93 TRPA1 (0.38) PTGER4CYP1A2CYP3A4HSD17B10HPGD
SCHEMBL21928491 0.92 GRIN1 (0.39) PTGER4CYP1A2CYP3A4ALDH1A1CLK4
SCHEMBL21928634 0.92 TRPA1 (0.36) PTGER4CYP1A2CYP3A4HSD17B10HPGD
SCHEMBL21931791 0.91 PTGER4 (0.40) PTGER4KDM4ETRPA1NR3C1ALDH1A1
SCHEMBL21929233 0.91 PTGER4 (0.40) PTGER4MAP4K4TDO2GABRA1GABRG2
SCHEMBL21931781 0.91 TRPA1 (0.42) CYP1A2CYP3A4HSD17B10HPGDKDM4E

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-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES CYNORA GMBH (DE) 2022-12-08 US disclosed
US-20200136054-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-04-30 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-20200136054-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, OGFR, OR51E2 PTGER4 1018/4885CYP1A2 353/4885CYP3A4 512/4885
US-20220388960-A1 ORGANIC MOLECULES FOR USE IN LIGHT-EMITTING DEVICES ALDH1A2, AOX1, CYBA PTGER4 1294/4885CYP1A2 24/4885CYP3A4 93/4885

“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.