SCHEMBL2856945

SCHEMBL2856945

CCCc1c(C(=O)Nc2ccccc2)cnn1-c1ccccc1

nearest known ligand 0.84

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.81
MAPT P10636 6/20 0.81
MAPK1 P28482 4/20 0.68
GAA P10253 2/20 0.68
POLB P06746 1/20 0.67
MAPK14 Q16539 6/20 0.66
LMNA P02545 1/20 0.65
RAB9A P51151 3/20 0.60
NPC1 O15118 2/20 0.60
HPGD P15428 1/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60

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
SCHEMBL14097123 0.92 MAPT (0.78) ALDH1A1MAPTMAPK1GAAPOLB
SCHEMBL2853236 0.87 ALDH1A1 (0.73) ALDH1A1MAPTMAPK1GAAPOLB
SCHEMBL2856762 0.85 ALDH1A1 (0.77) ALDH1A1MAPTMAPK1GAAPOLB
SCHEMBL14097124 0.85 ALDH1A1 (0.67) ALDH1A1MAPTMAPK1GAAPOLB
SCHEMBL13593554 0.85 ALDH1A1 (0.63) ALDH1A1MAPTMAPK1GAAPOLB
SCHEMBL14097125 0.84 ALDH1A1 (0.67) ALDH1A1MAPTMAPK1GAAPOLB
SCHEMBL14097120 0.84 ALDH1A1 (0.64) ALDH1A1MAPTMAPK1GAAPOLB
SCHEMBL773204 0.84 NR4A3 (0.78) ALDH1A1MAPTMAPK1GAAPOLB
SCHEMBL14097104 0.83 ALDH1A1 (0.64) ALDH1A1MAPTMAPK1GAAPOLB
SCHEMBL14097112 0.82 ALDH1A1 (0.63) ALDH1A1MAPTMAPK1GAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed
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

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-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 ALDH1A1 4289/4885MAPT 256/4885MAPK1 1/4885

“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.