SCHEMBL4804825

SCHEMBL4804825

Cc1ccccc1Nc1c(C(C)C)cccc1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CXCL8 P10145 2/20 0.44
▸ KMT2A Q03164 5/20 0.42
▸ LMNA P02545 1/20 0.42
▸ LPAR1 Q92633 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ RAPGEF4 Q8WZA2 1/20 0.42
▸ MEN1 O00255 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL6744857 0.88 LMNA (0.47) CXCL8KMT2ALMNALPAR1L3MBTL1
SCHEMBL31447156 0.88 LMNA (0.47) CXCL8KMT2ALMNALPAR1L3MBTL1
SCHEMBL14770885 0.84 L3MBTL1 (0.48) KMT2ALMNAL3MBTL1MEN1MAPK1
SCHEMBL12152328 0.82 LMNA (0.40) CXCL8KMT2ALMNALPAR1L3MBTL1
SCHEMBL2925868 0.82 MAPK1 (0.47) CXCL8KMT2ALMNAL3MBTL1MEN1
SCHEMBL13800729 0.79 LMNA (0.41) CXCL8KMT2ALMNALPAR1L3MBTL1
SCHEMBL2927809 0.79 LMNA (0.41) CXCL8KMT2ALMNALPAR1L3MBTL1
SCHEMBL30299532 0.79 MAPT (0.47) CXCL8KMT2ALMNALPAR1L3MBTL1
SCHEMBL4131377 0.79 CXCR2 (0.45) CXCL8KMT2ALMNALPAR1L3MBTL1
SCHEMBL2458400 0.79 MAPT (0.47) CXCL8KMT2ALMNALPAR1L3MBTL1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442800-B2 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2008-10-28 — — US claimed
CN-101184711-A Nucleophilic heterocyclic carbene derivatives of pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2008-05-21 — — CN claimed
US-20060287544-A1 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2006-12-21 — — US claimed
EP-3613504-A1 PI-ALLYLPALLADIUM AND PI-ALLYLNICKEL COMPLEXES FOR USE AS CATALYSTS IN CARBON-CARBON AND CARBON-NITROGEN COUPLING REACTIONS Johnson Matthey Public Limited Company (GB) 2020-02-26 — — EP disclosed
EP-3613504-A1 PI-ALLYLPALLADIUM AND PI-ALLYLNICKEL COMPLEXES FOR USE AS CATALYSTS IN CARBON-CARBON AND CARBON-NITROGEN COUPLING REACTIONS Johnson Matthey Public Limited Company (GB) 2020-02-26 — — EP disclosed
EP-2585216-B1 PI-ALLYLPALLADIUM AND PI-ALLYLNICKEL COMPLEXES FOR USE AS CATALYSTS IN CARBON-CARBON AND CARBON-NITROGEN COUPLING REACTIONS JOHNSON MATTHEY PLC (GB) 2019-11-20 — — EP disclosed
EP-2585216-B1 PI-ALLYLPALLADIUM AND PI-ALLYLNICKEL COMPLEXES FOR USE AS CATALYSTS IN CARBON-CARBON AND CARBON-NITROGEN COUPLING REACTIONS JOHNSON MATTHEY PLC (GB) 2019-11-20 — — EP disclosed
US-20190016742-A1 Complexes JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2019-01-17 — — US disclosed
US-10167305-B2 Allyl complexes for use in coupling reactions JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2019-01-01 — — US disclosed
US-10167305-B2 Allyl complexes for use in coupling reactions JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2019-01-01 — — US disclosed
US-20170101533-A1 NOVEL COMPOUND, COLORING COMPOSITION FOR DYEING OR TEXTILE PRINTING, INK JET INK, METHOD OF PRINTING ON FABRIC, AND DYED OR PRINTED FABRIC FUJIFILM CORPORATION (JP) 2017-04-13 — — US disclosed
CN-103037969-A Complexes JOHNSON MATTHEY PLC 2013-04-10 — — CN disclosed
WO-2011161451-A1 COMPLEXES JOHNSON MATTHEY PLC (GB) 2011-12-29 — — WO disclosed
WO-2011161451-A1 COMPLEXES JOHNSON MATTHEY PLC (GB) 2011-12-29 — — WO disclosed
US-7442800-B2 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2008-10-28 — — US disclosed
US-7442800-B2 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2008-10-28 — — US disclosed
US-7442800-B2 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2008-10-28 — — US disclosed
EP-1885669-A1 NUCLEOPHILIC HETEROCYCLIC CARBENE DERIVATIVES OF PD(ACAC)2 FOR CROSS-COUPLING REACTIONS Promerus LLC (US) 2008-02-13 — — EP disclosed
US-20060287544-A1 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions PROMERUS LLC (US) 2006-12-21 — — US disclosed
WO-2006128097-A1 NUCLEOPHILIC HETEROCYCLIC CARBENE DERIVATIVES OF PD(ACAC)2 FOR CROSS-COUPLING REACTIONS PROMERUS LLC (US) 2006-11-30 — — 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 (3 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-10167305-B2 Allyl complexes for use in coupling reactions AP3M1, AP1M1, C9 CXCL8 3838/4885KMT2A 2518/4885LMNA 4478/4885
US-20190016742-A1 Complexes C5, C1S, C9 CXCL8 4026/4885KMT2A 1612/4885LMNA 4209/4885
US-20060287544-A1 Nucleophilic heterocyclic carbene derivatives of Pd(acac)2 for cross-coupling reactions NDC1, DDC, PDCD1LG2 CXCL8 2485/4885KMT2A 548/4885LMNA 4016/4885

“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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