SCHEMBL4444438

SCHEMBL4444438

CC(C)(C)c1cc(NC(=O)CNc2ccc(Oc3ccncc3)cc2)no1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 16/20 0.72
RIPK2 O43353 1/20 0.72
MAPK13 O15264 1/20 0.58
MAPK12 P53778 1/20 0.58
MAPK11 Q15759 1/20 0.58
MAPK14 Q16539 1/20 0.58
KDR P35968 1/20 0.54
FLT3 P36888 2/20 0.53
EGFR P00533 1/20 0.51

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
SCHEMBL13815845 0.90 RAF1 (0.72) RAF1RIPK2MAPK13MAPK12MAPK11
SCHEMBL4443071 0.90 RAF1 (0.61) RAF1RIPK2MAPK13MAPK12MAPK11
SCHEMBL13239632 0.84 RAF1 (0.69) RAF1RIPK2MAPK13MAPK12MAPK11
SCHEMBL668459 0.84 RAF1 (1.00) RAF1RIPK2MAPK13MAPK12MAPK11
SCHEMBL14136181 0.83 RAF1 (0.50) RAF1RIPK2
SCHEMBL13972318 0.82 RAF1 (0.48) RAF1RIPK2MAPK13MAPK12MAPK11
SCHEMBL4441367 0.82 RAF1 (0.73) RAF1RIPK2MAPK13MAPK14FLT3
SCHEMBL102637 0.78 RAF1 (0.72) RAF1RIPK2MAPK13MAPK12MAPK11
SCHEMBL668623 0.76 RAF1 (0.80) RAF1RIPK2MAPK13MAPK12MAPK11
SCHEMBL13823410 0.75 RAF1 (0.50) RAF1RIPK2MAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163556-A1 GLYCINAMIDE DERIVATIVES AS RAF-KINASE INHBITORS BUCHSTALLER HANS-PETER 2009-06-25 US disclosed
US-20090163556-A1 GLYCINAMIDE DERIVATIVES AS RAF-KINASE INHBITORS BUCHSTALLER HANS-PETER 2009-06-25 US disclosed
US-20090163556-A1 GLYCINAMIDE DERIVATIVES AS RAF-KINASE INHBITORS BUCHSTALLER HANS-PETER 2009-06-25 US disclosed
US-7476683-B2 e.g. N-(4-Chloro-3-trifluoro methyl phenyl)-2-[3-(4-pyridinyloxy)phenyl amino]-acetamide; serine/threonine kinase inhibitor; anticarcinogenic, antiproliferative, antidiabetic agent; autoimmune diseases; atherosclerosis, arthritis, Crohn's disease, retinopaty MERCK PATENT GMBH (DE) 2009-01-13 US disclosed
US-7476683-B2 e.g. N-(4-Chloro-3-trifluoro methyl phenyl)-2-[3-(4-pyridinyloxy)phenyl amino]-acetamide; serine/threonine kinase inhibitor; anticarcinogenic, antiproliferative, antidiabetic agent; autoimmune diseases; atherosclerosis, arthritis, Crohn's disease, retinopaty MERCK PATENT GMBH (DE) 2009-01-13 US disclosed
US-7476683-B2 e.g. N-(4-Chloro-3-trifluoro methyl phenyl)-2-[3-(4-pyridinyloxy)phenyl amino]-acetamide; serine/threonine kinase inhibitor; anticarcinogenic, antiproliferative, antidiabetic agent; autoimmune diseases; atherosclerosis, arthritis, Crohn's disease, retinopaty MERCK PATENT GMBH (DE) 2009-01-13 US disclosed
EP-1531817-B1 GLYCINAMIDE DERIVATIVES AS RAF-KINASE INHIBITORS MERCK PATENT GMBH (DE) 2008-07-30 EP disclosed
EP-1531817-B1 GLYCINAMIDE DERIVATIVES AS RAF-KINASE INHIBITORS MERCK PATENT GMBH (DE) 2008-07-30 EP disclosed
US-20060167261-A1 e.g. N-(4-Chloro-3-trifluoro methyl phenyl)-2-[3-(4-pyridinyloxy)phenyl amino]-acetamide; serine/threonine kinase inhibitor; anticarcinogenic, antiproliferative, antidiabetic agent; autoimmune diseases; atherosclerosis, arthritis, Crohn's disease, retinopaty MERK PATENT GMBH (DE) 2006-07-27 US disclosed
EP-1531817-A1 GLYCINAMIDE DERIVATIVES AS RAF-KINASE INHIBITORS MERCK PATENT GmbH (DE) 2005-05-25 EP disclosed
WO-2004019941-A1 GLYCINAMIDE DERIVATIVES AS RAF-KINASE INHIBITORS MERCK PATENT GMBH (DE) 2004-03-11 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-20090163556-A1 GLYCINAMIDE DERIVATIVES AS RAF-KINASE INHBITORS ARAF, BRAF, RAF1 RAF1 3/4885RIPK2 491/4885MAPK13 264/4885
US-20060167261-A1 e.g. N-(4-Chloro-3-trifluoro methyl phenyl)-2-[3-(4-pyridinyloxy)phenyl amino]-acetamide; serine/threonine kinase inhibitor; anticarcinogenic, antiproliferative, antidiabetic agent; autoimmune diseases; atherosclerosis, arthritis, Crohn's disease, retinopaty BRAF, RAF1, ARAF RAF1 2/4885RIPK2 235/4885MAPK13 44/4885

“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.