SCHEMBL6103405

SCHEMBL6103405

CCOC(=O)c1c(C)nn(-c2ccccc2)c1N

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.75
PDE4D Q08499 3/20 0.75
LMNA P02545 2/20 0.68
MAPK1 P28482 1/20 0.64
ALDH1A1 P00352 4/20 0.60
KDM4E B2RXH2 4/20 0.59
HSD17B10 Q99714 1/20 0.59
ADORA2A P29274 1/20 0.56
ADORA1 P30542 1/20 0.56
MAPT P10636 2/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
PDE4B Q07343 1/20 0.54
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
TP53 P04637 1/20 0.52
ALOX12 P18054 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL1753109 0.88 ALDH1A1 (0.68) HPGDPDE4DLMNAMAPK1ALDH1A1
SCHEMBL4506277 0.86 LMNA (0.65) HPGDPDE4DLMNAMAPK1ALDH1A1
SCHEMBL6052561 0.86 PDE4D (0.64) HPGDPDE4DLMNAMAPK1ALDH1A1
SCHEMBL6069548 0.86 PDE4D (1.00) PDE4DALDH1A1MAPTPDE4BRAB9A
SCHEMBL3611588 0.85 LMNA (0.74) HPGDPDE4DLMNAMAPK1ALDH1A1
SCHEMBL13858518 0.85 LMNA (0.82) HPGDPDE4DLMNAMAPK1ALDH1A1
SCHEMBL20553225 0.85 PDE4D (0.77) HPGDPDE4DLMNAMAPK1ALDH1A1
SCHEMBL20551683 0.85 PDE4D (0.55) HPGDPDE4DLMNAMAPK1ALDH1A1
SCHEMBL1753047 0.84 ALDH1A1 (0.66) HPGDPDE4DLMNAMAPK1ALDH1A1
SCHEMBL18172116 0.84 PDE4B (0.58) HPGDPDE4DLMNAMAPK1ALDH1A1

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
US-7414056-B2 Pyrazole-amide compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-19 US disclosed
US-7414056-B2 Pyrazole-amide compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-08-19 US disclosed
US-7390810-B2 Pyrazole-amine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-24 US disclosed
US-7390810-B2 Pyrazole-amine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-24 US disclosed
US-20080108626-A1 (5-amino-1-phenyl-1H-pyrazole)-(3-Amino-N-isoxazol-3-yl-4-methyl)-benzamide; p38 mitogen-activated protein kinase inhibitor; reduced levels of TNF- alpha expression; antiinfammatory agent: rheumatoid arthritis, psoriasis, multiple sclerosis, endotoxin shock, osteoporosis, Alzheimer's disease BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-20080108626-A1 (5-amino-1-phenyl-1H-pyrazole)-(3-Amino-N-isoxazol-3-yl-4-methyl)-benzamide; p38 mitogen-activated protein kinase inhibitor; reduced levels of TNF- alpha expression; antiinfammatory agent: rheumatoid arthritis, psoriasis, multiple sclerosis, endotoxin shock, osteoporosis, Alzheimer's disease BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-20060128729-A1 Novel bicyclic heterocyclic compounds, process for their preparation and compositions containing them DR. REDDY'S LABORATORIES LTD. (IN) 2006-06-15 US 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-20080108626-A1 (5-amino-1-phenyl-1H-pyrazole)-(3-Amino-N-isoxazol-3-yl-4-methyl)-benzamide; p38 mitogen-activated protein kinase inhibitor; reduced levels of TNF- alpha expression; antiinfammatory agent: rheumatoid arthritis, psoriasis, multiple sclerosis, endotoxin shock, osteoporosis, Alzheimer's disease MAPK1, MAPK3, TNF HPGD 2141/4885PDE4D 1316/4885LMNA 2312/4885
US-20060128729-A1 Novel bicyclic heterocyclic compounds, process for their preparation and compositions containing them HPSE, ENGASE, UGCG HPGD 299/4885PDE4D 3307/4885LMNA 561/4885

“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.