Sugi Predict

Sugi Predict / Compounds / SCHEMBL10053683

SCHEMBL10053683

SCHEMBL10053683

COc1ccc2c(c1)C(c1cc(-c3ccccc3)cc(N(c3ccccc3)c3ccccc3)c1)(c1cc(-c3ccccc3)cc(N(c3ccccc3)c3ccccc3)c1)c1cc(OC)ccc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.39
▸ LRRK2 Q5S007 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ CYP1A1 P04798 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2E1 P05181 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C8 P10632 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2A6 P11509 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP4B1 P13584 1/20 0.35
▸ CYP2B6 P20813 1/20 0.35
▸ CYP3A5 P20815 1/20 0.35
▸ CYP2A7 P20853 1/20 0.35
▸ CYP3A7 P24462 1/20 0.35
▸ CYP2F1 P24903 1/20 0.35
▸ CYP2C18 P33260 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CYP2J2 P51589 1/20 0.35

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
SCHEMBL12864359 0.96 PDK2 (0.38) PDK2LRRK2PTPN1CYP1A1CYP1A2
SCHEMBL2606004 0.93 CYP11B1 (0.38) PDK2LRRK2PTPN1CYP1A1CYP1A2
SCHEMBL10053684 0.91 PDK2 (0.43) PDK2LRRK2PTPN1CYP1A1CYP1A2
SCHEMBL2605974 0.87 CYP1A1 (0.46) PDK2PTPN1CYP1A1CYP1A2CYP2E1
SCHEMBL12864350 0.84 KDM4E (0.33) PDK2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2606146 0.83 PDK2 (0.35) PDK2KDM4EALDH1A1L3MBTL1
SCHEMBL2605964 0.81 KDM4E (0.39) PDK2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10054080 0.80 KDM4E (0.33) PDK2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10053636 0.80 PDK2 (0.34) PDK2KDM4EALDH1A1L3MBTL1
SCHEMBL2606001 0.80 PDK2 (0.34) PDK2KDM4EALDH1A1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023117835-A1 ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-06-29 — — WO disclosed
US-8361638-B2 Fluorine derivatives for organic electroluminescence devices MERCK PATENT GMBH (DE) 2013-01-29 — — US disclosed
US-8361638-B2 Fluorine derivatives for organic electroluminescence devices MERCK PATENT GMBH (DE) 2013-01-29 — — US disclosed
EP-2260023-B1 FLUORENE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2012-04-25 — — EP disclosed
US-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-02-17 — — US disclosed
US-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-02-17 — — US disclosed
WO-2009124627-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2009-10-15 — — WO 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-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES SLCO4C1, CTCF, AFF2 PDK2 2382/4885LRRK2 2031/4885PTPN1 4604/4885

“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.