SCHEMBL4054053

SCHEMBL4054053

COc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc(C(F)(F)F)c2)c1

nearest known ligand 0.78

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.78
MAPK13 O15264 10/20 0.78
MAPK12 P53778 10/20 0.78
MAPK11 Q15759 10/20 0.78
BRAF P15056 4/20 0.67
KCNJ6 P48051 1/20 0.60
KCNJ5 P48544 1/20 0.60
KCNJ3 P48549 1/20 0.60
DDR2 Q16832 2/20 0.59
MAPK9 P45984 1/20 0.56

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
SCHEMBL2082742 0.92 MAPK14 (0.76) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL4307812 0.91 MAPK14 (0.80) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL4050509 0.91 MAPK14 (0.90) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL4302251 0.88 KCNJ6 (0.62) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL2083127 0.88 MAPK14 (0.81) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL4054049 0.88 MAPK14 (0.84) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL2081640 0.86 MAPK14 (0.81) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL2080682 0.86 MAPK14 (0.81) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL4298758 0.86 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL4051721 0.85 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11BRAF

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-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC 2009-12-17 US disclosed
US-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC 2009-12-17 US disclosed
US-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC 2009-12-17 US disclosed
EP-1836173-A4 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS LLC (US) 2009-07-08 EP disclosed
EP-1836173-A2 ANTI-INFLAMMATORY MEDICAMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP disclosed
US-20070191336-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-08-16 US disclosed
US-20070191336-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-08-16 US disclosed
US-20070191336-A1 p38 kinase inhibitors DECIPHERA PHARMACEUTICALS, LLC 2007-08-16 US disclosed
WO-2006081034-A2 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-08-03 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-20090312349-A1 ANTI-INFLAMMATORY MEDICAMENTS ABL2, ABL1, PTK2 MAPK14 80/4885MAPK13 183/4885MAPK12 118/4885
US-20070191336-A1 p38 kinase inhibitors MAPK1, MAP3K8, MAP3K1 MAPK14 29/4885MAPK13 41/4885MAPK12 37/4885

“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.