SCHEMBL22761149

SCHEMBL22761149

N#Cc1ccc(-c2ccc3c4ccc(-c5ccc(C#N)cc5)cc4n(-c4ccc(-c5cccc(C#N)c5)c(-n5c6cc(-c7ccc(C#N)cc7)ccc6c6ccc(-c7ccc(C#N)cc7)cc65)c4C(F)(F)F)c3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.39
▸ PTPN5 P54829 1/20 0.38
▸ PRF1 P14222 2/20 0.38
▸ KIF11 P52732 2/20 0.36
▸ ENPP1 P22413 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ SYK P43405 2/20 0.34
▸ CHEK1 O14757 2/20 0.33
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ HRH3 Q9Y5N1 1/20 0.32
▸ HSD17B3 P37058 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ CETP P11597 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 0.97 PDK2 (0.41) PDK2PTPN5PRF1ENPP1PGR
SCHEMBL22761215 0.96 PDK2 (0.39) PDK2PTPN5PRF1KIF11ENPP1
SCHEMBL21546522 0.96 PDK2 (0.41) PDK2PTPN5PRF1ENPP1PGR
SCHEMBL22761192 0.95 PDK2 (0.39) PDK2PTPN5PRF1ENPP1PGR
SCHEMBL21547047 0.94 PRF1 (0.38) PDK2PTPN5PRF1ENPP1SYK
SCHEMBL22760856 0.93 PDK2 (0.37) PDK2PTPN5PRF1ENPP1PGR
SCHEMBL21547103 0.93 PDK2 (0.39) PDK2PTPN5PRF1ENPP1PGR
SCHEMBL22761213 0.93 PDK2 (0.40) PDK2PTPN5PRF1ENPP1PGR
SCHEMBL22761240 0.92 PRF1 (0.36) PDK2PTPN5PRF1ENPP1CHEK1
SCHEMBL22761152 0.92 PDK2 (0.39) PDK2PTPN5PRF1KIF11ENPP1

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

“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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