SCHEMBL21546604

SCHEMBL21546604

N#Cc1cccc(-c2cc(-n3c4ccccc4c4cc(C(F)(F)F)ccc43)c(-n3c4ccccc4c4cc(C(F)(F)F)ccc43)cc2C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.40
MAT2A P31153 1/20 0.40
ENPP1 P22413 1/20 0.39
PTPN5 P54829 1/20 0.38
TRPA1 O75762 1/20 0.37
CETP P11597 1/20 0.37
KIF11 P52732 1/20 0.36
SCN9A Q15858 1/20 0.35
ALPL P05186 1/20 0.35
ALPI P09923 1/20 0.35
PDK2 Q15119 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
ADORA2A P29274 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 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
SCHEMBL21546605 0.96 PTGDR2 (0.43) PTGDR2MAT2AENPP1PTPN5TRPA1
SCHEMBL21546606 0.94 KIF11 (0.41) PTGDR2MAT2AENPP1PTPN5TRPA1
SCHEMBL21546456 0.94 PTGDR2 (0.40) PTGDR2MAT2AENPP1PTPN5TRPA1
SCHEMBL22761114 0.92 AR (0.37) PTGDR2MAT2AENPP1PTPN5TRPA1
SCHEMBL21546842 0.91 CNR1 (0.36) PTGDR2MAT2AENPP1PTPN5TRPA1
SCHEMBL22564562 0.91 KIF11 (0.36) PTGDR2MAT2AKIF11KDM4EGRIN1
SCHEMBL21546954 0.90 PTGDR2 (0.42) PTGDR2MAT2AENPP1PTPN5TRPA1
SCHEMBL25660933 0.90 PTPN5 (0.40) PTGDR2MAT2AENPP1PTPN5TRPA1
SCHEMBL22761122 0.90 PTPN5 (0.38) PTGDR2MAT2AENPP1PTPN5TRPA1
SCHEMBL21546930 0.90 PTGDR2 (0.40) PTGDR2MAT2AENPP1PTPN5TRPA1

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 PTGDR2 379/4885MAT2A 1149/4885ENPP1 2388/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM PTGDR2 379/4885MAT2A 1149/4885ENPP1 2388/4885

“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.