SCHEMBL4442586

SCHEMBL4442586

O=C(CNc1cccc(Oc2ccncc2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.58
CDK8 P49336 3/20 0.55
RAF1 P04049 9/20 0.55
BRAF P15056 3/20 0.54
MAPT P10636 3/20 0.54
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.53
KDR P35968 3/20 0.52
CA7 P43166 2/20 0.51
CA9 Q16790 2/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
GRK2 P25098 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 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
SCHEMBL5634693 0.92 RET (0.61) RETCDK8RAF1BRAFMEN1
SCHEMBL4445772 0.91 CDK8 (0.56) RETCDK8RAF1BRAFMAPT
SCHEMBL4442142 0.90 RAF1 (0.60) RETCDK8RAF1BRAFMAPT
SCHEMBL6030307 0.88 RET (0.63) RETCDK8RAF1BRAFMAPT
SCHEMBL4444310 0.84 RAF1 (0.60) CDK8RAF1BRAFMAPTALDH1A1
SCHEMBL5634874 0.83 RAF1 (0.61) RETCDK8RAF1BRAFMEN1
SCHEMBL13648129 0.83 RET (0.64) RETCDK8RAF1BRAFMEN1
SCHEMBL5636194 0.82 RAF1 (0.64) RETCDK8RAF1BRAFMEN1
SCHEMBL101750 0.80 RET (0.57) RETCDK8RAF1BRAFMEN1
SCHEMBL3539364 0.79 RAF1 (0.74) RETCDK8RAF1BRAFMAPT

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 RET 106/4885CDK8 666/4885RAF1 3/4885
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 RET 139/4885CDK8 270/4885RAF1 2/4885

“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.