SCHEMBL4442571

SCHEMBL4442571

CC(C)(C)c1cc(NC(=O)CNc2cccc(Oc3ccncc3)c2)on1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 6/20 0.62
GRK2 P25098 11/20 0.53
GRK3 P35626 4/20 0.53
BRAF P15056 3/20 0.50
GRK5 P34947 2/20 0.46
ROCK2 O75116 1/20 0.43
MAPK14 Q16539 2/20 0.43
MAPK13 O15264 1/20 0.43
RIPK2 O43353 1/20 0.43

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
SCHEMBL4441367 0.90 RAF1 (0.73) RAF1GRK2MAPK14MAPK13RIPK2
SCHEMBL4443071 0.83 RAF1 (0.61) RAF1GRK2GRK3MAPK14MAPK13
SCHEMBL667897 0.77 RAF1 (1.00) RAF1BRAFMAPK14MAPK13RIPK2
SCHEMBL13823425 0.77 GRK2 (0.53) RAF1GRK2GRK3GRK5ROCK2
SCHEMBL3175321 0.73 RAF1 (0.73) RAF1MAPK14MAPK13RIPK2
SCHEMBL13823410 0.73 RAF1 (0.50) RAF1GRK2GRK3ROCK2MAPK13
SCHEMBL4444438 0.72 RAF1 (0.72) RAF1MAPK14MAPK13RIPK2
SCHEMBL668575 0.71 RAF1 (0.81) RAF1BRAFMAPK14MAPK13RIPK2
SCHEMBL4442586 0.71 RET (0.58) RAF1GRK2BRAFMAPK14MAPK13
SCHEMBL668623 0.70 RAF1 (0.80) RAF1MAPK14MAPK13RIPK2

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 3/4885GRK2 151/4885GRK3 114/4885
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 2/4885GRK2 106/4885GRK3 116/4885

“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.