SCHEMBL21546740

SCHEMBL21546740

N#Cc1cccc(-c2c(-n3c4ccccc4c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc43)cc(C#N)cc2-n2c3ccccc3c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc32)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.40
RXRA P19793 1/20 0.39
RXRG P48443 1/20 0.39
GRIN1 Q05586 4/20 0.38
GRIN2B Q13224 4/20 0.38
MAT2A P31153 1/20 0.38
PDK2 Q15119 1/20 0.36
PGR P06401 2/20 0.33
CETP P11597 1/20 0.33
TRPA1 O75762 1/20 0.33
TACR1 P25103 1/20 0.33
ENPP1 P22413 1/20 0.33
KIF11 P52732 1/20 0.33
ALDH1A3 P47895 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
SYK P43405 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
SCHEMBL22761160 0.97 PTPN5 (0.41) PTPN5RXRARXRGGRIN1GRIN2B
SCHEMBL19918041 0.97 PTPN5 (0.41) PTPN5RXRARXRGGRIN1GRIN2B
SCHEMBL20617255 0.96 PTPN5 (0.41) PTPN5RXRARXRGGRIN1GRIN2B
SCHEMBL21546623 0.96 RXRA (0.41) PTPN5RXRARXRGGRIN1GRIN2B
SCHEMBL21546622 0.95 PTPN5 (0.41) PTPN5RXRARXRGGRIN1GRIN2B
SCHEMBL21546917 0.95 PTPN5 (0.41) PTPN5RXRARXRGGRIN1GRIN2B
SCHEMBL20617425 0.94 RXRA (0.41) PTPN5RXRARXRGGRIN1GRIN2B
SCHEMBL21546913 0.94 PTPN5 (0.43) PTPN5RXRARXRGGRIN1GRIN2B
SCHEMBL20617175 0.93 GRIN1 (0.38) PTPN5RXRARXRGGRIN1GRIN2B
SCHEMBL19903439 0.93 PTPN5 (0.41) PTPN5RXRARXRGGRIN1GRIN2B

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 4550/4885RXRA 3139/4885RXRG 2585/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM PTPN5 4550/4885RXRA 3139/4885RXRG 2585/4885

“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.