SCHEMBL3873690

SCHEMBL3873690

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.49
IDO1 P14902 2/20 0.49
MAP2K1 Q02750 3/20 0.47
MAP2K2 P36507 1/20 0.47
MAPT P10636 4/20 0.46
GAA P10253 2/20 0.46
THRB P10828 2/20 0.46
SYK P43405 2/20 0.44
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRA6 Q16445 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
SCHEMBL5622895 0.89 MAP2K1 (0.61) MAP2K1MAP2K2SYK
SCHEMBL3874547 0.86 MAPT (0.60) TP53MAPTGAATHRBJAK2
SCHEMBL6505710 0.85 MAP2K1 (0.57) TP53MAP2K1MAP2K2SYKJAK2
SCHEMBL3937883 0.84 IDO1 (0.60) IDO1MAP2K1MAP2K2MEN1KMT2A
SCHEMBL3883164 0.84 IDO1 (0.47) TP53IDO1MAP2K1MAP2K2MAPT
SCHEMBL6529013 0.81 MAP2K1 (0.56) MAP2K1MAP2K2
SCHEMBL18748194 0.80 CASP1 (0.47) TP53MAPTGAASYKKDM4E
SCHEMBL5624190 0.80 MAP2K2 (0.50) TP53MAP2K1MAP2K2MAPTGAA
SCHEMBL5623906 0.80 THRB (0.49) TP53MAP2K1MAP2K2MAPTGAA
SCHEMBL502084 0.79 ATM (0.51) TP53MAPTJAK2JAK1TYK2

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 TP53 127/4885IDO1 1077/4885MAP2K1 114/4885
US-20070293544-A1 Novel 4-Arylamino Pyridone Derivatives as Mek Inhibitors for the Treatment of Hyper-Proliferative Disorders BRAF, MAP3K19, MAPK1 TP53 354/4885IDO1 1105/4885MAP2K1 65/4885

“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.