SCHEMBL101749

SCHEMBL101749

CC(C)(C)c1cc(NC(=O)NCc2cccc(Oc3ccncc3)c2)no1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 18/20 0.64
RIPK2 O43353 1/20 0.64
MAPK13 O15264 1/20 0.57
MAPK12 P53778 1/20 0.57
MAPK11 Q15759 1/20 0.57
MAPK14 Q16539 1/20 0.57
KDR P35968 1/20 0.51
ROCK2 O75116 2/20 0.50
ROCK1 Q13464 1/20 0.50

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
SCHEMBL102637 0.90 RAF1 (0.72) RAF1RIPK2MAPK13MAPK12MAPK11
SCHEMBL13234464 0.86 RAF1 (0.62) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL668623 0.83 RAF1 (0.80) RAF1RIPK2MAPK13MAPK12MAPK11
SCHEMBL13234466 0.80 MAPT (0.58) RAF1MAPK13MAPK12MAPK11MAPK14
SCHEMBL16990706 0.80 RAF1 (0.62) RAF1RIPK2MAPK13MAPK12MAPK11
SCHEMBL668459 0.79 RAF1 (1.00) RAF1RIPK2MAPK13MAPK12MAPK11
SCHEMBL15574401 0.78 RAF1 (0.77) RAF1RIPK2MAPK13MAPK12MAPK11
SCHEMBL4443071 0.78 RAF1 (0.61) RAF1RIPK2MAPK13MAPK12MAPK11
SCHEMBL13603751 0.77 NAMPT (0.65) RAF1MAPK14ROCK2ROCK1
SCHEMBL13239632 0.77 RAF1 (0.69) RAF1RIPK2MAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130158076-A1 Methylene Urea Derivatives MERCK PATENT GMBH (DE) 2013-06-20 US disclosed
US-20130158076-A1 Methylene Urea Derivatives MERCK PATENT GMBH (DE) 2013-06-20 US disclosed
US-20130158076-A1 Methylene Urea Derivatives MERCK PATENT GMBH (DE) 2013-06-20 US disclosed
US-8410143-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2013-04-02 US disclosed
US-8410143-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2013-04-02 US disclosed
US-8410143-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2013-04-02 US disclosed
EP-2426122-A1 Methylene urea derivative as RAF kinasse inhibitors Merck Patent GmbH (DE) 2012-03-07 EP disclosed
US-20090298885-A1 METHYLENE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-03 US disclosed
US-20090298885-A1 METHYLENE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-03 US disclosed
US-20090298885-A1 METHYLENE UREA DERIVATIVES MERCK PATENT GMBH (DE) 2009-12-03 US disclosed
US-7589112-B2 Methylene urea derivatives MERCK PATENT GMBH (DE) 2009-09-15 US disclosed
US-20060199844-A1 Methylene urea derivatives MERCK PATENT GMBH (DE) 2006-09-07 US disclosed
EP-1562905-A2 METHYLENE UREA DERIVATIVES AS RAF-KINASE INHIBITORS MERCK PATENT GmbH (DE) 2005-08-17 EP disclosed
WO-2004037789-A2 METHYLENE UREA DERIVATIVES AS RAF-KINASE INHIBITORS MERCK PATENT GMBH (DE) 2004-05-06 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 (3 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-20090298885-A1 METHYLENE UREA DERIVATIVES BRAF, RAF1, CMPK1 RAF1 2/4885RIPK2 928/4885MAPK13 134/4885
US-20060199844-A1 Methylene urea derivatives BRAF, RAF1, CMPK1 RAF1 2/4885RIPK2 928/4885MAPK13 134/4885
US-20130158076-A1 Methylene Urea Derivatives BRAF, RAF1, CMPK1 RAF1 2/4885RIPK2 928/4885MAPK13 134/4885

“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.