SCHEMBL21546686

SCHEMBL21546686

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.45
PTPN5 P54829 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
TRPA1 O75762 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2B Q13224 2/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
KIF11 P52732 1/20 0.38
CETP P11597 1/20 0.37
CTSS P25774 1/20 0.36
GRM5 P41594 2/20 0.35
ENPP1 P22413 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
RXRA P19793 1/20 0.35
RXRG P48443 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

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
SCHEMBL21546621 0.95 MAT2A (0.42) MAT2APTPN5PTGDR2TRPA1L3MBTL1
SCHEMBL21546883 0.95 MAT2A (0.45) MAT2APTPN5PTGDR2TRPA1L3MBTL1
SCHEMBL21546685 0.91 MAT2A (0.47) MAT2APTPN5PTGDR2TRPA1L3MBTL1
SCHEMBL21414244 0.91 KIF11 (0.41) MAT2APTPN5PTGDR2L3MBTL1MRGPRX4
SCHEMBL21546925 0.91 MAT2A (0.42) MAT2APTPN5PTGDR2TRPA1L3MBTL1
SCHEMBL20617282 0.90 CTSS (0.41) MAT2AGRIN1GRIN2BKIF11CTSS
SCHEMBL22564397 0.90 RXRA (0.41) MAT2APTGDR2GRIN1GRIN2BMRGPRX4
SCHEMBL21546617 0.90 MAT2A (0.44) MAT2APTPN5PTGDR2TRPA1L3MBTL1
SCHEMBL22760832 0.89 MAT2A (0.43) MAT2APTPN5PTGDR2TRPA1L3MBTL1
SCHEMBL21546922 0.89 MAT2A (0.43) MAT2APTPN5PTGDR2TRPA1L3MBTL1

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 4550/4885PTGDR2 379/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM MAT2A 1149/4885PTPN5 4550/4885PTGDR2 379/4885

“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.