SCHEMBL4501036

SCHEMBL4501036

Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1-c1ccc2c(c1)CC(C)(C)C2=O

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRAF P15056 16/20 0.64
RAF1 P04049 15/20 0.64
MAPK14 Q16539 4/20 0.62
MAPK13 O15264 1/20 0.62
HSPB1 P04792 1/20 0.62
MAPK12 P53778 1/20 0.62
MAPK11 Q15759 1/20 0.62

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
SCHEMBL4501502 0.93 MAPK14 (0.65) BRAFRAF1MAPK14HSPB1
SCHEMBL27727290 0.89 MAPK14 (0.51) BRAFRAF1MAPK14MAPK13HSPB1
SCHEMBL4501842 0.83 MAPK14 (0.57) BRAFRAF1MAPK14
SCHEMBL4506282 0.82 MAPK14 (0.64) BRAFRAF1MAPK14
SCHEMBL3048789 0.81 MAPK14 (0.55) RAF1MAPK14HSPB1
SCHEMBL12764085 0.79 MAPK14 (0.69) BRAFRAF1MAPK14MAPK13HSPB1
SCHEMBL4509580 0.78 MAPK14 (0.55) BRAFRAF1MAPK14HSPB1
SCHEMBL16034999 0.78 BRAF (1.00) BRAFRAF1
SCHEMBL16034935 0.78 BRAF (1.00) BRAFRAF1MAPK14MAPK13HSPB1
SCHEMBL16121526 0.77 RAF1 (1.00) BRAFRAF1

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-20090286775-A1 Bicyclic Derivatives as P38 Kinase Inhibitors PALAU PHARMA, S.A. (ES) 2009-11-19 US claimed
EP-1917241-A2 BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS Palau Pharma, S.A. (ES) 2008-05-07 EP claimed
WO-2007000339-A1 BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS PALAU PHARMA, S.A. (ES) 2007-01-04 WO claimed
US-20090286775-A1 Bicyclic Derivatives as P38 Kinase Inhibitors PALAU PHARMA, S.A. (ES) 2009-11-19 US disclosed
EP-1917241-A2 BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS Palau Pharma, S.A. (ES) 2008-05-07 EP disclosed
WO-2007000339-A1 BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS PALAU PHARMA, S.A. (ES) 2007-01-04 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-20090286775-A1 Bicyclic Derivatives as P38 Kinase Inhibitors MAPK1, MAPKAPK2, MAPKAPK3 BRAF 64/4885RAF1 71/4885MAPK14 26/4885

“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.