SCHEMBL21546963

SCHEMBL21546963

N#Cc1cccc(-c2cc(-n3c4cc(C(F)(F)F)ccc4c4ccc(C(F)(F)F)cc43)c(C(F)(F)F)c(-n3c4cc(C(F)(F)F)ccc4c4ccc(C(F)(F)F)cc43)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.43
MAT2A P31153 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2B Q13224 2/20 0.40
TRPA1 O75762 1/20 0.39
KIF11 P52732 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
GRM5 P41594 2/20 0.37
CETP P11597 1/20 0.37
PDK2 Q15119 1/20 0.36
SYK P43405 1/20 0.36
CTSS P25774 1/20 0.35
TDO2 P48775 1/20 0.35
ENPP1 P22413 1/20 0.35

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
SCHEMBL21546961 0.95 KIF11 (0.43) PTPN5MAT2APTGDR2GRIN1GRIN2B
SCHEMBL22760794 0.92 KIF11 (0.41) PTPN5MAT2APTGDR2GRIN1GRIN2B
SCHEMBL22761223 0.92 PTPN5 (0.41) PTPN5MAT2APTGDR2GRIN1GRIN2B
SCHEMBL21546774 0.92 PTPN5 (0.43) PTPN5MAT2APTGDR2GRIN1GRIN2B
SCHEMBL22760792 0.91 PTPN5 (0.40) PTPN5MAT2AGRIN1GRIN2BTRPA1
SCHEMBL21546862 0.91 PTPN5 (0.43) PTPN5GRIN1GRIN2BPDK2SYK
SCHEMBL21547134 0.91 PTPN5 (0.42) PTPN5MAT2APTGDR2GRIN1GRIN2B
SCHEMBL21546533 0.90 PTPN5 (0.43) PTPN5MAT2APTGDR2GRIN1GRIN2B
SCHEMBL21546870 0.89 PTPN5 (0.41) PTPN5GRIN1GRIN2BPDK2SYK
SCHEMBL21547124 0.88 PTPN5 (0.43) PTPN5GRIN1GRIN2BKIF11PDK2

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