SCHEMBL21547089

SCHEMBL21547089

CC(C)(C)c1ccc2c3ccccc3n(-c3cc(-c4cccc(C#N)c4)cc(-n4c5ccccc5c5ccc(C(C)(C)C)cc54)c3C(F)(F)F)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.41
KIF11 P52732 2/20 0.38
TRPA1 O75762 1/20 0.37
MAT2A P31153 1/20 0.36
PDK2 Q15119 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
SYK P43405 2/20 0.33
GRM5 P41594 1/20 0.33
ENPP1 P22413 1/20 0.33
SGK1 O00141 1/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C19 P33261 2/20 0.32
KMT2A Q03164 2/20 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
SCHEMBL22761223 0.96 PTPN5 (0.41) PTPN5KIF11TRPA1MAT2APDK2
SCHEMBL21547091 0.95 PTPN5 (0.41) PTPN5KIF11TRPA1MAT2APDK2
SCHEMBL21546961 0.93 KIF11 (0.43) PTPN5KIF11TRPA1MAT2APDK2
SCHEMBL22760794 0.92 KIF11 (0.41) PTPN5KIF11TRPA1MAT2APDK2
SCHEMBL22761224 0.90 PTPN5 (0.42) PTPN5KIF11TRPA1MAT2APDK2
SCHEMBL21546801 0.89 PTPN5 (0.37) PTPN5KIF11TRPA1SGK1MEN1
SCHEMBL22761171 0.89 PTPN5 (0.43) PTPN5PDK2SYKGRM5ENPP1
SCHEMBL22760793 0.89 PTPN5 (0.40) PTPN5MAT2APDK2SYKGRM5
SCHEMBL21546962 0.88 PTPN5 (0.43) PTPN5KIF11TRPA1MAT2APDK2
SCHEMBL21546963 0.88 PTPN5 (0.43) PTPN5KIF11TRPA1MAT2APDK2

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 4550/4885KIF11 2801/4885TRPA1 54/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM PTPN5 4550/4885KIF11 2801/4885TRPA1 54/4885

“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.