SCHEMBL4451956

SCHEMBL4451956

CC(C)(C)c1cc(NC(=O)CCl)no1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 1.00
ALDH1A1 P00352 1/20 0.64
GAA P10253 1/20 0.64
HPGD P15428 1/20 0.56
RAB9A P51151 5/20 0.55
NPC1 O15118 5/20 0.55
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
MAPK14 Q16539 3/20 0.54
HTT P42858 3/20 0.53
MAPT P10636 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
ATM Q13315 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
PKM P14618 1/20 0.51
TSHR P16473 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
FLT3 P36888 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
SCHEMBL4102589 0.85 EGFR (0.74) EGFRHPGDRAB9ANPC1KMT2A
SCHEMBL11001723 0.85 EGFR (0.74) EGFRALDH1A1GAAHPGDRAB9A
SCHEMBL14422913 0.84 EGFR (0.72) EGFRHPGDRAB9ANPC1KMT2A
SCHEMBL11001168 0.84 EGFR (0.72) EGFRHPGDRAB9ANPC1KMT2A
SCHEMBL11004123 0.83 EGFR (0.70) EGFRHPGDRAB9ANPC1KMT2A
SCHEMBL4104287 0.83 EGFR (0.70) EGFRHPGDRAB9ANPC1KMT2A
SCHEMBL11017752 0.82 EGFR (0.69) EGFRGAAHPGDRAB9ANPC1
SCHEMBL11158107 0.81 EGFR (0.69) EGFRHPGDRAB9ANPC1KMT2A
SCHEMBL14422912 0.81 EGFR (0.68) EGFRHPGDRAB9ANPC1KMT2A
SCHEMBL2951112 0.81 RAB9A (0.77) EGFRRAB9ANPC1KMT2AMEN1

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 EGFR 115/4885ALDH1A1 1285/4885GAA 318/4885
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 EGFR 319/4885ALDH1A1 2318/4885GAA 483/4885

“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.