SCHEMBL4441367

SCHEMBL4441367

CC(C)(C)c1cc(NC(=O)CNc2ccc(Oc3ccncc3)cc2)on1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 6/20 0.73
RIPK2 O43353 1/20 0.51
MAPK14 Q16539 6/20 0.48
MAPK13 O15264 5/20 0.47
FLT3 P36888 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.42
KMT2A Q03164 1/20 0.42
NLRP1 Q9C000 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
GALR3 O60755 1/20 0.41
GRK2 P25098 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL4442571 0.90 RAF1 (0.62) RAF1RIPK2MAPK14MAPK13GRK2
SCHEMBL667897 0.84 RAF1 (1.00) RAF1RIPK2MAPK14MAPK13FLT3
SCHEMBL13823410 0.83 RAF1 (0.50) RAF1RIPK2MAPK13ALDH1A1MAPT
SCHEMBL4444438 0.82 RAF1 (0.72) RAF1RIPK2MAPK14MAPK13FLT3
SCHEMBL3175321 0.79 RAF1 (0.73) RAF1RIPK2MAPK14MAPK13FLT3
SCHEMBL14136181 0.78 RAF1 (0.50) RAF1RIPK2ALDH1A1MAPTKMT2A
SCHEMBL667449 0.77 RAF1 (0.80) RAF1RIPK2MAPK14MAPK13FLT3
SCHEMBL938751 0.77 RAF1 (0.80) RAF1RIPK2MAPK14MAPK13FLT3
SCHEMBL13972318 0.74 RAF1 (0.48) RAF1RIPK2MAPK14MAPK13ALDH1A1
SCHEMBL668575 0.74 RAF1 (0.81) RAF1RIPK2MAPK14MAPK13FLT3

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 491/4885MAPK14 101/4885
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 235/4885MAPK14 31/4885

“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.