SCHEMBL3874547

SCHEMBL3874547

CCOC(=O)c1cnc(Cl)cc1Nc1ccc(Br)cc1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
GAA P10253 2/20 0.60
THRB P10828 1/20 0.60
TP53 P04637 3/20 0.49
SIRT5 Q9NXA8 1/20 0.49
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 2/20 0.44
RXFP1 Q9HBX9 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
AURKB Q96GD4 2/20 0.42
AURKA O14965 1/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41

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
SCHEMBL5623989 0.89 MAP2K1 (0.49) MAPTGAATHRBTP53MAPK1
SCHEMBL3873690 0.86 TP53 (0.49) MAPTGAATHRBTP53NPSR1
SCHEMBL3878586 0.84 MAPT (0.53) MAPTGAATHRBTP53SIRT5
SCHEMBL6505308 0.84 MAP2K1 (0.47) MAPTGAATHRBMAPK1NPSR1
SCHEMBL5624190 0.80 MAP2K2 (0.50) MAPTGAATHRBTP53MAPK1
SCHEMBL5623906 0.80 THRB (0.49) MAPTGAATHRBTP53MAPK1
SCHEMBL502084 0.79 ATM (0.51) MAPTTP53MAPK1NPSR1RXFP1
SCHEMBL5624185 0.79 MAP2K2 (0.47) MAPTGAATHRBTP53MAPK1
SCHEMBL5622895 0.78 MAP2K1 (0.61)
SCHEMBL18748194 0.78 CASP1 (0.47) MAPTGAATP53MAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828184-B1 [1,2,4]TRIAZOLO[4,3-A]PYRIDINE DERIVATIVES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES MERCK SERONO SA (CH) 2009-09-16 EP disclosed
US-20070299103-A1 [1,2,4]Triazolo[4,3-A]Pyridine Derivatives for the Treatment of Hyperproliferative Diseases MERCK SERONO SA (CH) 2007-12-27 US disclosed
US-20070293544-A1 Novel 4-Arylamino Pyridone Derivatives as Mek Inhibitors for the Treatment of Hyper-Proliferative Disorders MERCK SERONO SA (CH) 2007-12-20 US disclosed
EP-1838675-A1 NOVEL 4-ARYLAMINO PYRIDONE DERIVATIVES AS MEK INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS LABORATOIRES SERONO S.A. (CH) 2007-10-03 EP disclosed
EP-1828184-A1 [1,2,4]TRIAZOLO[4,3-A]PYRIDINE DERIVATIVES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES LABORATOIRES SERONO S.A. (CH) 2007-09-05 EP disclosed
WO-2006058752-A1 [1,2,4]TRIAZOLO[4,3-A]PYRIDINE DERIVATIVES FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES LABORATOIRES SERONO S.A. (CH) 2006-06-08 WO disclosed
WO-2006056427-A1 NOVEL 4-ARYLAMINO PYRIDONE DERIVATIVES AS MEK INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS LABORATOIRES SERONO S.A. (CH) 2006-06-01 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-20070299103-A1 [1,2,4]Triazolo[4,3-A]Pyridine Derivatives for the Treatment of Hyperproliferative Diseases CDK4, CDK3, BRAF MAPT 4321/4885GAA 3574/4885THRB 1002/4885
US-20070293544-A1 Novel 4-Arylamino Pyridone Derivatives as Mek Inhibitors for the Treatment of Hyper-Proliferative Disorders BRAF, MAP3K19, MAPK1 MAPT 4584/4885GAA 3682/4885THRB 782/4885

“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.