SCHEMBL22761139

SCHEMBL22761139

N#Cc1cccc(-c2ccc(-n3c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc4c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc43)c(C(F)(F)F)c2-n2c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc3c3ccc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)cc32)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 1/20 0.38
▸ PDK2 Q15119 1/20 0.38
▸ PTPN5 P54829 1/20 0.37
▸ GRIN1 Q05586 3/20 0.37
▸ GRIN2B Q13224 3/20 0.37
▸ PRF1 P14222 1/20 0.36
▸ RXRA P19793 1/20 0.36
▸ RXRG P48443 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ ENPP1 P22413 1/20 0.34
▸ MAT2A P31153 1/20 0.33
▸ TRPA1 O75762 1/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ PARP10 Q53GL7 1/20 0.32
▸ PARP11 Q9NR21 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ SYK P43405 1/20 0.31
▸ TACR1 P25103 1/20 0.31

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
SCHEMBL22760817 0.96 PDK2 (0.37) CETPPDK2PTPN5GRIN1GRIN2B
SCHEMBL22761212 0.95 PDK2 (0.41) CETPPDK2PTPN5GRIN1GRIN2B
SCHEMBL22761192 0.93 PDK2 (0.39) CETPPDK2PTPN5GRIN1GRIN2B
SCHEMBL22761135 0.92 CETP (0.38) CETPPDK2PTPN5GRIN1GRIN2B
SCHEMBL21546522 0.92 PDK2 (0.41) PDK2PTPN5PRF1RXRARXRG
SCHEMBL22761149 0.92 PDK2 (0.39) CETPPDK2PTPN5GRIN1GRIN2B
SCHEMBL22761213 0.91 PDK2 (0.40) CETPPDK2PTPN5GRIN1GRIN2B
SCHEMBL22760862 0.91 PTGDR2 (0.41) CETPPDK2PTPN5GRIN1GRIN2B
SCHEMBL22761133 0.91 PDK2 (0.37) CETPPDK2PTPN5GRIN1GRIN2B
SCHEMBL21547047 0.90 PRF1 (0.38) CETPPDK2PTPN5PRF1PTGDR2

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 2 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

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 CETP 3548/4885PDK2 2517/4885PTPN5 4550/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM CETP 3548/4885PDK2 2517/4885PTPN5 4550/4885

“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.

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