SCHEMBL21546624

SCHEMBL21546624

N#Cc1cccc(-c2c(-n3c4ccccc4c4ccc(-c5ccc(C(F)(F)F)cc5C(F)(F)F)cc43)cc(C#N)cc2-n2c3ccccc3c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc32)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.37
PTPN5 P54829 1/20 0.37
MAT2A P31153 1/20 0.37
CETP P11597 1/20 0.36
PDK2 Q15119 1/20 0.35
KIF11 P52732 2/20 0.34
ENPP1 P22413 1/20 0.34
CYP2C9 P11712 1/20 0.34
SCN9A Q15858 1/20 0.34
RORC P51449 1/20 0.34
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
AR P10275 1/20 0.33
TRPA1 O75762 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
PRF1 P14222 1/20 0.32
ACP1 P24666 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
SCHEMBL22760755 0.96 CETP (0.38) PTGDR2PTPN5MAT2ACETPPDK2
SCHEMBL21546626 0.96 PTGDR2 (0.39) PTGDR2PTPN5MAT2ACETPPDK2
SCHEMBL21547195 0.95 PTGDR2 (0.38) PTGDR2PTPN5MAT2ACETPPDK2
SCHEMBL20111869 0.94 PTPN5 (0.40) PTGDR2PTPN5MAT2ACETPPDK2
SCHEMBL21414126 0.93 KIF11 (0.36) PTGDR2PTPN5MAT2ACETPKIF11
SCHEMBL20617424 0.93 KIF11 (0.36) PTGDR2MAT2ACETPKIF11CYP2C9
SCHEMBL22760753 0.92 CETP (0.40) PTGDR2PTPN5MAT2ACETPPDK2
SCHEMBL21931680 0.92 MAT2A (0.37) PTGDR2PTPN5MAT2ACETPPDK2
SCHEMBL21547071 0.92 CETP (0.38) PTGDR2PTPN5MAT2ACETPPDK2
SCHEMBL21546628 0.91 PTGDR2 (0.40) PTGDR2PTPN5MAT2ACETPPDK2

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

“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.