SCHEMBL18361017

SCHEMBL18361017

FC(F)(F)c1ccc(-n2c3ccccc3c3cc(Br)ccc32)c(-c2cc(C(F)(F)F)ccc2-n2c3ccccc3c3cc(Br)ccc32)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 3/20 0.46
▸ HSP90AA1 P07900 2/20 0.37
▸ TSPO P30536 2/20 0.37
▸ PDE2A O00408 2/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ RAD52 P43351 1/20 0.36
▸ IDO1 P14902 1/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ IDO2 Q6ZQW0 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ PPARG P37231 2/20 0.34
▸ PPARA Q07869 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL18361016 0.93 PDE2A (0.39) KIF11HSP90AA1PDE2AMEN1KMT2A
SCHEMBL18361132 0.90 KIF11 (0.54) KIF11HSP90AA1PDE2AMEN1KMT2A
SCHEMBL18361184 0.89 SMN1; SMN2 (0.40) KIF11HSP90AA1PDE2AMEN1KMT2A
SCHEMBL18374580 0.84 KIF11 (0.47) KIF11HSP90AA1MEN1KMT2AALDH1A1
SCHEMBL18361015 0.83 KIF11 (0.49) KIF11HSP90AA1PDE2ATDO2IDO2
SCHEMBL30041037 0.83 L3MBTL1 (0.44) KIF11TSPOMEN1KMT2ARAD52
SCHEMBL29040488 0.83 L3MBTL1 (0.44) KIF11TSPOMEN1KMT2ARAD52
SCHEMBL18361010 0.82 KIF11 (0.50) KIF11HSP90AA1MEN1KMT2AALDH1A1
SCHEMBL18361014 0.82 KIF11 (0.50) KIF11HSP90AA1PDE2AMEN1KMT2A
SCHEMBL26496751 0.82 KIF11 (0.50) KIF11HSP90AA1PDE2AIDO1TDO2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3138137-B1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-06-20 — — EP disclosed
US-20180026202-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-25 — — US disclosed
WO-2017005699-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2017-01-12 — — WO disclosed
EP-3113239-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES cynora GmbH (DE) 2017-01-04 — — 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 (1 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-20180026202-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES ORC3, OR10J3, C1R KIF11 4250/4885HSP90AA1 4845/4885TSPO 2434/4885

“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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