SCHEMBL21547166

SCHEMBL21547166

Cn1c2ccccc2c2ccc3c4ccccc4n(-c4cc(-c5cccc(C#N)c5)cc(-n5c6ccccc6c6ccc7c8ccccc8n(C)c7c65)c4C(F)(F)F)c3c21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.39
▸ PTPN5 P54829 1/20 0.37
▸ ALKBH5 Q6P6C2 1/20 0.36
▸ FTO Q9C0B1 1/20 0.36
▸ PDK2 Q15119 1/20 0.35
▸ CYP1A2 P05177 3/20 0.34
▸ CYP3A4 P08684 3/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ SYK P43405 2/20 0.34
▸ ENPP1 P22413 1/20 0.34
▸ TP53 P04637 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAT2A P31153 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP2C19 P33261 2/20 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
SCHEMBL21547164 0.90 KIF11 (0.39) KIF11PTPN5ALKBH5FTOPDK2
SCHEMBL21547165 0.88 KDM4E (0.39) PTPN5PDK2CYP1A2CYP3A4CYP2D6
SCHEMBL21546495 0.88 ALKBH5 (0.39) ALKBH5FTOCYP1A2CYP3A4CYP2D6
SCHEMBL21547145 0.86 KIF11 (0.35) KIF11PTPN5ALKBH5FTOPDK2
SCHEMBL22760793 0.85 PTPN5 (0.40) PTPN5PDK2CYP1A2CYP3A4CYP2D6
SCHEMBL22761171 0.85 PTPN5 (0.43) PTPN5PDK2SYKENPP1GRIN1
SCHEMBL21547035 0.85 KIF11 (0.43) KIF11PTPN5ALKBH5FTOCYP1A2
SCHEMBL21546749 0.84 PTPN5 (0.39) PTPN5PDK2CYP1A2CYP3A4SYK
SCHEMBL22760672 0.84 PTPN5 (0.44) PTPN5PDK2CYP1A2CYP3A4CYP2D6
SCHEMBL21546526 0.84 PTPN5 (0.41) PTPN5PDK2SYKENPP1GRIN1

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 KIF11 2801/4885PTPN5 4550/4885ALKBH5 962/4885
US-20200385399-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OR51E2, EPCAM KIF11 2801/4885PTPN5 4550/4885ALKBH5 962/4885

“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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