SCHEMBL5843675

SCHEMBL5843675

N#Cc1cc(Cl)[c]cc1OC1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 20/20 0.42
▸ IKBKE Q14164 13/20 0.42

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
SCHEMBL17289902 0.75 TBK1 (0.47) TBK1IKBKE
SCHEMBL17630225 0.72 TBK1 (0.56) TBK1IKBKE
SCHEMBL10926986 0.72 CSNK2A1 (0.36) —
SCHEMBL24928876 0.72 TBK1 (0.41) TBK1IKBKE
SCHEMBL5843092 0.72 XDH (0.34) —
SCHEMBL15321117 0.71 TBK1 (0.53) TBK1IKBKE
SCHEMBL20472554 0.71 TBK1 (0.46) TBK1IKBKE
SCHEMBL22470817 0.71 TBK1 (0.51) TBK1IKBKE
SCHEMBL1667546 0.71 TBK1 (0.51) TBK1IKBKE
SCHEMBL15782897 0.71 SYK (0.58) TBK1IKBKE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7012041-B2 Phenylpyridazinones BAYER AG (DE) 2006-03-14 — — US disclosed
EP-1120411-B1 4-Aryl-1,2,4-triazolidinedione derivatives and their use as herbicides BAYER CROPSCIENCE AG (DE) 2004-09-22 — — EP disclosed
US-20030208073-A1 Substituted N-aryl nitrogen-containing heterocyclic compounds LINKER KARL-HEINZ (DE) 2003-11-06 — — US disclosed
US-20030119673-A1 Phenylpyridazinones LINKER KARL-HEINZ (DE) 2003-06-26 — — US disclosed
US-6551963-B1 For controlling unwanted vegetation BAYER AKTIENGESELLSCHAFT (DE) 2003-04-22 — — US disclosed
US-6426318-B1 KILLING WEEDS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-30 — — US disclosed
EP-1120411-A2 4-Aryl-1,2,4-triazolidinedione derivatives and their use as herbicides BAYER AG (DE) 2001-08-01 — — EP disclosed
EP-1070055-A1 SUBSTITUTED PHENYL PYRIDAZINONES Bayer Aktiengesellschaft (DE) 2001-01-24 — — EP disclosed
US-6162765-A Substituted N-aryl nitrogen-containing heterocyclic compounds BAYER AKTIENGESELLSCHAFT (DE) 2000-12-19 — — US disclosed
US-6159903-A Substituted 2-aryl-1,2,4-triazine-3,5-di(thi)ones as herbicides BAYER AKTIENGESELLSCHAFT (DE) 2000-12-12 — — US disclosed
WO-2000008000-A1 USE OF SUBSTITUTED TRIAZINONES AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-02-17 — — WO disclosed
WO-1999052878-A1 SUBSTITUTED PHENYL PYRIDAZINONES BAYER AKTIENGESELLSCHAFT (DE) 1999-10-21 — — WO disclosed
EP-0882027-A1 SUBSTITUTED 2-ARYL-1,2,4-TRIAZINE-3,5-DI(THI)ONES AS HERBICIDES BAYER AG (DE) 1998-12-09 — — EP disclosed
EP-0832072-A1 PHENYLPYRIDAZINONES BAYER AG (DE) 1998-04-01 — — EP disclosed
EP-0797573-A1 3-ARYL-1,2,4-TRIAZOLE DERIVATIVES WITH HERBICIDAL PROPERTIES BAYER AG (DE) 1997-10-01 — — EP disclosed
WO-1997030980-A1 SUBSTITUTED 2-ARYL-1,2,4-TRIAZINE-3,5-DI(THI)ONES AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-08-28 — — WO disclosed
WO-1997026248-A1 SUBSTITUTED N-ARYL NITROGEN HETEROCYCLIC COMPOUNDS AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-07-24 — — WO disclosed
WO-1997005117-A1 SUBSTITUTED 1-PHENYLURACIL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-02-13 — — WO disclosed
WO-1996039392-A1 PHENYLPYRIDAZINONES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-12 — — WO disclosed
WO-1996018618-A1 3-ARYL-1,2,4-TRIAZOLE DERIVATIVES WITH HERBICIDAL PROPERTIES BAYER AKTIENGESELLSCHAFT (DE) 1996-06-20 — — 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-20030208073-A1 Substituted N-aryl nitrogen-containing heterocyclic compounds NAT1, CYP1B1, CYP1A1 TBK1 4506/4885IKBKE 1744/4885
US-20030119673-A1 Phenylpyridazinones CYP2D6, CYP1A1, CYP1B1 TBK1 4803/4885IKBKE 2795/4885

“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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