SCHEMBL6971308

SCHEMBL6971308

COc1cc[nH]c1/C=C1\C(=O)Nc2cccc(C#CC(O)c3ccc(OCCCN(C)C)cc3)c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 1.00
CCNE1 P24864 19/20 0.47
CDK2 P24941 19/20 0.47
CCNE2 O96020 17/20 0.47

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
SCHEMBL6971324 1.00 MAPK8 (1.00) MAPK8CCNE1CDK2CCNE2
SCHEMBL14040855 0.98 MAPK8 (0.96) MAPK8CCNE1CDK2CCNE2
SCHEMBL13198013 0.90 MAPK8 (0.81) MAPK8CCNE1CDK2CCNE2
SCHEMBL6958386 0.88 MAPK8 (0.78) MAPK8CCNE1CDK2CCNE2
SCHEMBL6958391 0.88 MAPK8 (0.78) MAPK8CCNE1CDK2CCNE2
SCHEMBL6965314 0.87 MAPK8 (0.77) MAPK8CCNE1CDK2CCNE2
SCHEMBL6965328 0.87 MAPK8 (0.77) MAPK8CCNE1CDK2CCNE2
SCHEMBL13207561 0.87 MAPK8 (0.76) MAPK8CCNE1CDK2CCNE2
SCHEMBL6969422 0.86 MAPK8 (0.75) MAPK8CCNE1CDK2CCNE2
SCHEMBL6968404 0.86 MAPK8 (0.75) MAPK8CCNE1CDK2CCNE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750033-B2 Preventive and remedy for collagen or elastin metabolic disorder YAMAGUCHI UNIVERSITY (JP) 2010-07-06 US disclosed
US-7541376-B2 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-02 US disclosed
US-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND OHI NORIHITO 2009-02-26 US disclosed
US-7429609-B2 Pyrazole compound and medicinal composition containing the same EISAI R & D MANAGEMENT CO., LTD. (JP) 2008-09-30 US disclosed
US-20070248944-A1 Preventive and Remedy for Collagen or Elastin Metabolic Disorder YAMAGUCHI UNIVERSITY (JP) 2007-10-25 US disclosed
EP-1149092-B1 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES HOFFMANN LA ROCHE (CH) 2003-10-29 EP disclosed
US-6313310-B1 JUN N-TERMINAL KINASE (JNK) ENZYME INHIBITORS; ANTIINFLAMMATORY AGENTS; RHEUMATIC ARTHRITIS AND NEURO-DEGENERATIVE DISEASE TREATMENT HOFFMANN-LA ROCHE INC. 2001-11-06 US disclosed
EP-1149092-A2 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
WO-2000035906-A2 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 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-20090054397-A1 PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE COMPOUND CNKSR1, NR3C2, CSNK2B MAPK8 40/4885CCNE1 1203/4885CDK2 176/4885
US-20070248944-A1 Preventive and Remedy for Collagen or Elastin Metabolic Disorder COLGALT1, COL2A1, COL14A1 MAPK8 39/4885CCNE1 3186/4885CDK2 2149/4885

“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.