Sugi Predict

Sugi Predict / Compounds / SCHEMBL16629927

SCHEMBL16629927

SCHEMBL16629927

Brc1ccc(-c2cccc3c2oc2ccc(-c4cccc5ccc6cccnc6c45)cc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.39
▸ CSNK2A2 P19784 6/20 0.35
▸ CSNK2B P67870 6/20 0.35
▸ PIM1 P11309 5/20 0.35
▸ PIM3 Q86V86 5/20 0.35
▸ PIM2 Q9P1W9 5/20 0.35
▸ KDM4E B2RXH2 4/20 0.35
▸ TDP1 Q9NUW8 4/20 0.35
▸ HTT P42858 4/20 0.35
▸ LMNA P02545 3/20 0.35
▸ TP53 P04637 2/20 0.35
▸ HSP90AA1 P07900 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ GMNN O75496 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ ALOX15 P16050 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
SCHEMBL21622665 0.91 ALOX5 (0.43) ALOX5CSNK2A2CSNK2BPIM1PIM3
SCHEMBL21622577 0.90 ALOX5 (0.40) ALOX5CSNK2A2CSNK2BPIM1PIM3
SCHEMBL16629926 0.89 KDM4E (0.37) ALOX5CSNK2A2CSNK2BPIM1PIM3
SCHEMBL16629661 0.89 HTT (0.38) CSNK2A2CSNK2BPIM1PIM3PIM2
SCHEMBL21622598 0.86 CSNK2A2 (0.40) ALOX5CSNK2A2CSNK2BPIM1PIM3
SCHEMBL21622962 0.86 CCR1 (0.40) ALOX5CSNK2A2CSNK2BPIM1PIM3
SCHEMBL21622830 0.86 CCR1 (0.44) KDM4ETDP1HTTLMNATP53
SCHEMBL16629928 0.85 ALOX5 (0.38) ALOX5CSNK2A2CSNK2BPIM1PIM3
SCHEMBL21622687 0.85 ALOX5 (0.38) ALOX5CSNK2A2CSNK2BPIM1PIM3
SCHEMBL21622631 0.83 ALOX5 (0.49) ALOX5KDM4ETDP1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3820965-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-01-25 — — EP disclosed
WO-2020011658-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-01-16 — — WO disclosed
US-10407394-B2 Triarylamine-substituted benzo[H]quinoline-derivatives as materials for electronic devices MERCK PATENT GMBH (DE) 2019-09-10 — — US disclosed
US-20160214942-A1 TRIARYLAMINE-SUBSTITUTED BENZO[H]QUINOLINE-DERIVATIVES AS MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-07-28 — — US disclosed
US-20160214942-A1 TRIARYLAMINE-SUBSTITUTED BENZO[H]QUINOLINE-DERIVATIVES AS MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-07-28 — — US disclosed
WO-2015049022-A1 TRIARYLAMINE-SUBSTITUTED BENZO[H]QUINOLINE-DERIVATIVES AS MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-04-09 — — 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 (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-20160214942-A1 TRIARYLAMINE-SUBSTITUTED BENZO[H]QUINOLINE-DERIVATIVES AS MATERIALS FOR ELECTRONIC DEVICES KCNQ1, KCNH1, KCNQ2 ALOX5 3677/4885CSNK2A2 1997/4885CSNK2B 2089/4885
US-10407394-B2 Triarylamine-substituted benzo[H]quinoline-derivatives as materials for electronic devices KCNQ1, KCNH1, KCNQ2 ALOX5 3677/4885CSNK2A2 1997/4885CSNK2B 2089/4885

“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.