SCHEMBL22761192

SCHEMBL22761192

N#Cc1cc(C#N)cc(-c2ccc3c4ccc(-c5cc(C#N)cc(C#N)c5)cc4n(-c4ccc(-c5cccc(C#N)c5)c(-n5c6cc(-c7cc(C#N)cc(C#N)c7)ccc6c6ccc(-c7cc(C#N)cc(C#N)c7)cc65)c4C(F)(F)F)c3c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.39
▸ PRF1 P14222 1/20 0.38
▸ PTPN5 P54829 1/20 0.37
▸ ENPP1 P22413 1/20 0.36
▸ CHEK1 O14757 1/20 0.34
▸ PGR P06401 3/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ SYK P43405 2/20 0.33
▸ HSD17B3 P37058 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ CETP P11597 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ KMT2A Q03164 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
SCHEMBL22761212 0.98 PDK2 (0.41) PDK2PRF1PTPN5ENPP1CHEK1
SCHEMBL22761241 0.96 PDK2 (0.39) PDK2PRF1PTPN5ENPP1CHEK1
SCHEMBL22761149 0.95 PDK2 (0.39) PDK2PRF1PTPN5ENPP1CHEK1
SCHEMBL21546522 0.95 PDK2 (0.41) PDK2PRF1PTPN5ENPP1CHEK1
SCHEMBL22761213 0.94 PDK2 (0.40) PDK2PRF1PTPN5ENPP1CHEK1
SCHEMBL22761139 0.93 CETP (0.38) PDK2PRF1PTPN5ENPP1CHEK1
SCHEMBL21547047 0.92 PRF1 (0.38) PDK2PRF1PTPN5ENPP1PTGDR2
SCHEMBL22760856 0.92 PDK2 (0.37) PDK2PRF1PTPN5ENPP1CHEK1
SCHEMBL22760838 0.92 SYK (0.39) PDK2PRF1PTPN5ENPP1CHEK1
SCHEMBL22761194 0.92 PDK2 (0.39) PDK2PRF1PTPN5ENPP1CHEK1

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 PDK2 2517/4885PRF1 4364/4885PTPN5 4550/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM PDK2 2517/4885PRF1 4364/4885PTPN5 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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