SCHEMBL13662230

SCHEMBL13662230

CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2ccc(C(=O)NCCCCCCOc3cc4sc(C#N)nc4cc3F)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.41
▸ JAK2 O60674 1/20 0.39
▸ NT5E P21589 2/20 0.36
▸ EGLN1 Q9GZT9 4/20 0.34
▸ MIF P14174 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.32
▸ HDAC6 Q9UBN7 2/20 0.32
▸ ALB P02768 1/20 0.32
▸ LGALS1 P09382 1/20 0.31
▸ LGALS3 P17931 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ MMP14 P50281 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPC1 O15118 1/20 0.31

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
SCHEMBL18116829 0.89 KCNH2 (0.44) KCNH2JAK2NT5EEGLN1MIF
SCHEMBL18804779 0.89 KCNH2 (0.35) KCNH2JAK2EGLN1
SCHEMBL18116833 0.87 KCNH2 (0.39) KCNH2JAK2NT5EEGLN1MIF
SCHEMBL13662226 0.86 KCNH2 (0.43) KCNH2JAK2NT5EMIFPI4KB
SCHEMBL18638720 0.85 KCNH2 (0.38) KCNH2JAK2NT5EEGLN1MIF
SCHEMBL13637125 0.85 MCHR1 (0.34) KCNH2HDAC6KMT2A
SCHEMBL18638619 0.84 KCNH2 (0.37) KCNH2JAK2NT5EEGLN1PI4KB
SCHEMBL15186591 0.84 KCNH2 (0.37) KCNH2JAK2NT5EEGLN1PI4KB
SCHEMBL18266816 0.83 KCNH2 (0.44) KCNH2JAK2MIFHDAC6ALB
SCHEMBL13662231 0.83 KCNH2 (0.40) KCNH2JAK2MIFHDAC6ALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932365-B2 Protein labeling with cyanobenzothiazole conjugates PROMEGA CORPORATION (US) 2018-04-03 — — US disclosed
US-20170283456-A1 PROTEIN LABELING WITH CYANOBENZOTHIAZOLE CONJUGATES JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2017-10-05 — — US disclosed
US-9689868-B2 Protein labeling with cyanobenzothiazole conjugates PROMEGA CORPORATION (US) 2017-06-27 — — US disclosed
EP-2626703-B1 Protein labeling with cyanobenzothiazole conjugates PROMEGA CORP (US) 2017-05-03 — — EP disclosed
EP-3141905-A1 PROTEIN LABELING WITH CYANOBENZOTHIAZOLE CONJUGATES Promega Corporation (US) 2017-03-15 — — EP disclosed
US-20170016888-A1 PROTEIN LABELING WITH CYANOBENZOTHIAZOLE CONJUGATES JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2017-01-19 — — US disclosed
EP-2269064-B1 PROTEIN LABELING WITH CYANOBENZOTHIAZOLE CONJUGATES PROMEGA CORP (US) 2016-11-30 — — EP disclosed
US-9459249-B2 Protein labeling with cyanobenzothiazole conjugates PROMEGA CORPORATION (US) 2016-10-04 — — US disclosed
EP-2626703-A1 Protein labeling with cyanobenzothiazole conjugates Promega Corporation (US) 2013-08-14 — — EP disclosed
US-20090263843-A1 Protein labeling with cyanobenzothiazole conjugates PROMEGA CORPORATION (US) 2009-10-22 — — US disclosed
US-20090263843-A1 Protein labeling with cyanobenzothiazole conjugates PROMEGA CORPORATION (US) 2009-10-22 — — 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-20090263843-A1 Protein labeling with cyanobenzothiazole conjugates QPCTL, BCAT1, QPCT KCNH2 3175/4885JAK2 2574/4885NT5E 1425/4885
US-20170283456-A1 PROTEIN LABELING WITH CYANOBENZOTHIAZOLE CONJUGATES QPCTL, BCAT1, QPCT KCNH2 3175/4885JAK2 2574/4885NT5E 1425/4885

“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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