SCHEMBL21546520

SCHEMBL21546520

N#Cc1ccc(-c2ccc3c(c2)c2ccccc2n3-c2cc(C(F)(F)F)cc(-n3c4ccccc4c4cc(-c5ccc(C#N)cc5)ccc43)c2-c2cccc(C#N)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 2/20 0.44
KIF11 P52732 2/20 0.41
MAT2A P31153 1/20 0.39
PDK2 Q15119 2/20 0.37
PTGER4 P35408 1/20 0.36
RXRA P19793 1/20 0.35
RXRG P48443 1/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
MAP4K4 O95819 1/20 0.34
SYK P43405 1/20 0.34
ENPP1 P22413 1/20 0.34
TRPA1 O75762 1/20 0.34
CCR6 P51684 1/20 0.34
PDPK1 O15530 1/20 0.33
ALDH1A3 P47895 1/20 0.33

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
SCHEMBL21547088 0.97 PTPN5 (0.45) PTPN5KIF11MAT2APDK2RXRA
SCHEMBL21547130 0.97 PTPN5 (0.44) PTPN5KIF11MAT2APDK2RXRA
SCHEMBL21547106 0.96 KIF11 (0.44) PTPN5KIF11MAT2APDK2RXRA
SCHEMBL21547131 0.95 PTPN5 (0.43) PTPN5KIF11MAT2APDK2RXRA
SCHEMBL21547010 0.94 PTPN5 (0.41) PTPN5MAT2APDK2RXRARXRG
SCHEMBL21546926 0.94 PTPN5 (0.41) PTPN5KIF11MAT2APDK2RXRA
SCHEMBL21547090 0.93 PTPN5 (0.47) PTPN5KIF11MAT2APDK2RXRA
SCHEMBL21547030 0.93 MAT2A (0.41) PTPN5KIF11MAT2APDK2RXRA
SCHEMBL21547037 0.93 PTPN5 (0.42) PTPN5KIF11MAT2APDK2PTGER4
SCHEMBL21546516 0.92 PTPN5 (0.44) PTPN5KIF11MAT2APDK2RXRA

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 2801/4885MAT2A 1149/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM PTPN5 4550/4885KIF11 2801/4885MAT2A 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.