SCHEMBL4029889

SCHEMBL4029889

CC(Nc1cc(-c2c(-c3cccc(C(F)(F)F)c3)nc(C3CCN(C(=O)OCc4ccccc4)CC3)n2C)ccn1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.71
MAPK13 O15264 13/20 0.71
MAPK12 P53778 13/20 0.71
MAPK11 Q15759 13/20 0.71
MAPK9 P45984 5/20 0.71
RAF1 P04049 3/20 0.71
TRPV4 Q9HBA0 2/20 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
SCHEMBL4029885 1.00 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL4025055 0.91 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7748842 0.90 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7748844 0.90 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL6171754 0.90 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL6171760 0.90 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL4025102 0.88 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL8011517 0.88 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL8602203 0.88 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL15946565 0.84 MAPK14 (0.85) MAPK14MAPK13MAPK12MAPK11MAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0854870-B1 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY MERCK & CO INC (US) 2009-06-10 EP claimed
EP-0854870-B1 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY MERCK & CO INC (US) 2009-06-10 EP disclosed
US-20090048307-A1 5-pyridyl-1, 3-azole compounds, process for producing the same and use there of OHKAWA SHIGENORI 2009-02-19 US disclosed
US-20090048307-A1 5-pyridyl-1, 3-azole compounds, process for producing the same and use there of OHKAWA SHIGENORI 2009-02-19 US disclosed
US-7276527-B2 5-pyridyl-1,3-azole compounds, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-02 US disclosed
US-7276527-B2 5-pyridyl-1,3-azole compounds, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-02 US disclosed
US-6083949-A FOR TREATING CANCER IN WHICH RAF KINASE IS IMPLICATED, AS WELL AS COMPOUNDS WHICH INHIBIT, SUPPRESS OR ANTAGONIZE THE PRODUCTION OR ACTIVITY OF CYTOKINES SUCH AS INTERLEUKINS AND TUMOR NECROSIS FACTOR MERCK & CO., INC. (US) 2000-07-04 US disclosed
WO-1997012876-A9 SUBSTITUTED IMIDAZOLES HAVING ANTI-CANCER AND CYTOKINE INHIBITORY ACTIVITY 1997-09-18 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 (1 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-20090048307-A1 5-pyridyl-1, 3-azole compounds, process for producing the same and use there of ADORA3, ADORA1, MAPK3 MAPK14 73/4885MAPK13 18/4885MAPK12 78/4885

“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.