SCHEMBL21546772

SCHEMBL21546772

N#Cc1cccc(-c2c(-n3c4ccc(-n5c6ccccc6c6ccccc65)cc4c4cc(-n5c6ccccc6c6ccccc65)ccc43)cc(C(F)(F)F)cc2-n2c3ccc(-n4c5ccccc5c5ccccc54)cc3c3cc(-n4c5ccccc5c5ccccc54)ccc32)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.39
PTPN5 P54829 1/20 0.37
ENPP1 P22413 1/20 0.34
TRPA1 O75762 1/20 0.34
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
PDK2 Q15119 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADORA2A P29274 1/20 0.33
CETP P11597 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NR3C1 P04150 1/20 0.32
TGFBR1 P36897 1/20 0.32
GRM5 P41594 1/20 0.32
KIF11 P52732 1/20 0.32
PDPK1 O15530 1/20 0.32
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32

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
SCHEMBL21546771 1.00 MAT2A (0.39) MAT2APTPN5ENPP1TRPA1GRIN1
SCHEMBL21546769 0.95 MAT2A (0.39) MAT2APTPN5ENPP1TRPA1GRIN1
SCHEMBL22760831 0.95 MAT2A (0.39) MAT2APTPN5ENPP1TRPA1GRIN1
SCHEMBL21547030 0.92 MAT2A (0.41) MAT2APTPN5ENPP1TRPA1GRIN1
SCHEMBL21547130 0.91 PTPN5 (0.44) MAT2APTPN5ENPP1TRPA1GRIN1
SCHEMBL21546925 0.91 MAT2A (0.42) MAT2APTPN5ENPP1TRPA1GRIN1
SCHEMBL22564452 0.90 RXRA (0.37) MAT2AL3MBTL1KIF11PDPK1
SCHEMBL22564450 0.90 RXRA (0.37) MAT2AL3MBTL1KIF11PDPK1
SCHEMBL21547088 0.89 PTPN5 (0.45) MAT2APTPN5ENPP1TRPA1GRIN1
SCHEMBL21546748 0.89 ADORA2A (0.36) L3MBTL1ADORA2AMEN1KMT2ATGFBR1

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 MAT2A 1149/4885PTPN5 4550/4885ENPP1 2388/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM MAT2A 1149/4885PTPN5 4550/4885ENPP1 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.