SCHEMBL33235

SCHEMBL33235

CCCc1c(C(=O)Oc2cc(C(=O)NC3CC3)ccc2C)cnn1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.57
MAPK11 Q15759 2/20 0.55
ALDH1A1 P00352 5/20 0.49
MAPK1 P28482 3/20 0.49
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
HSD11B1 P28845 1/20 0.47
LMNA P02545 1/20 0.46
THRB P10828 1/20 0.46

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
SCHEMBL33211 0.84 MAPK14 (0.51) MAPK14MAPK11ALDH1A1MAPK1MAPT
SCHEMBL14097097 0.82 MAPK14 (0.56) MAPK14MAPK11ALDH1A1MAPK1MAPT
SCHEMBL2856262 0.79 ALDH1A1 (0.59) MAPK14ALDH1A1MAPK1MAPTGAA
SCHEMBL33195 0.78 MAPK14 (0.60) MAPK14MAPK11ALDH1A1MAPK1
SCHEMBL14097094 0.77 MAPK14 (0.73) MAPK14MAPK11
SCHEMBL14097086 0.76 MAPK14 (0.74) MAPK14MAPK11
SCHEMBL1402961 0.75 HSD11B1 (0.57) MAPK14ALDH1A1MAPK1MAPTGAA
SCHEMBL1402778 0.75 HSD11B1 (0.72) MAPK14ALDH1A1MAPK1MAPTGAA
SCHEMBL13184792 0.74 MAPK14 (0.78) MAPK14MAPK11
SCHEMBL2326321 0.72 ALDH1A1 (0.68) MAPK14ALDH1A1MAPK1MAPTGAA

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-2385041-A1 Pyrazole-amine compounds useful as kinase inhibitors Bristol-Myers Squibb Company (US) 2011-11-09 EP disclosed
US-7592338-B2 Pyrazole-amine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
US-7592338-B2 Pyrazole-amine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
US-20080004278-A1 (1-phenyl-5-propyl-1H-pyrazol-4-yl)-(3-amino-N-cyclopropyl-4-methyl-benzamide)-amine; 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 2008-01-03 US disclosed
US-20080004278-A1 (1-phenyl-5-propyl-1H-pyrazol-4-yl)-(3-amino-N-cyclopropyl-4-methyl-benzamide)-amine; 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 2008-01-03 US disclosed
US-7253170-B2 Pyrazole-amine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-07 US disclosed
US-7253170-B2 Pyrazole-amine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-07 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 (1 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-20080004278-A1 (1-phenyl-5-propyl-1H-pyrazol-4-yl)-(3-amino-N-cyclopropyl-4-methyl-benzamide)-amine; 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, MAPK4 MAPK14 11/4885MAPK11 28/4885ALDH1A1 4424/4885

“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.