SCHEMBL668782

SCHEMBL668782

CC(C)CNC(=O)c1ccc(-c2csc(NC(=O)Nc3cc(C(C)(C)C)nn3C)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.46
MAPT P10636 2/20 0.44
MAPK11 Q15759 2/20 0.44
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
LMNA P02545 1/20 0.43
ERBB2 P04626 1/20 0.43

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
SCHEMBL667228 0.83 MAPK14 (0.61) MAPK14MAPTMAPK11MAPK13MAPK12
SCHEMBL667388 0.82 MAPK14 (0.61) MAPK14MAPTMAPK11MAPK13MAPK12
SCHEMBL668780 0.80 MAPK14 (0.69) MAPK14MAPTMAPK11MAPK13MAPK12
SCHEMBL3632225 0.76 HDAC4 (0.36) MAPK14
SCHEMBL668798 0.69 MAPK14 (0.77) MAPK14MAPTMAPK11MAPK13MAPK12
SCHEMBL2954601 0.66 MAPK14 (0.74) MAPK14MAPTMAPK11MAPK13MAPK12
SCHEMBL2948759 0.66 MAPK14 (0.80) MAPK14MAPTMAPK11MAPK13MAPK12
SCHEMBL18407354 0.64 MAPK14 (0.81) MAPK14MAPTMAPK11MAPK13MAPK12
SCHEMBL25735854 0.64 MAPK14 (0.85) MAPK14MAPTMAPK11MAPK13MAPK12
SCHEMBL10203248 0.64 MLYCD (0.66) LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 US claimed
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 US claimed
EP-1041982-B1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC (US) 2011-10-19 EP claimed
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 US disclosed
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 US disclosed
EP-1041982-B1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC (US) 2011-10-19 EP 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-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 MAPK14 31/4885MAPT 825/4885MAPK11 42/4885
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 MAPK14 31/4885MAPT 825/4885MAPK11 42/4885

“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.