SCHEMBL5069717

SCHEMBL5069717

CCOC(=O)c1cnn(-c2ccccc2)c1Br

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.71
HPGD P15428 2/20 0.71
SMN1; SMN2 Q16637 2/20 0.67
HTT P42858 3/20 0.59
RAB9A P51151 3/20 0.59
NPSR1 Q6W5P4 1/20 0.56
KDM4E B2RXH2 1/20 0.56
TSHR P16473 1/20 0.55
LMNA P02545 2/20 0.54
NR4A3 Q92570 1/20 0.52
TP53 P04637 2/20 0.52
ALOX12 P18054 1/20 0.52
PDE4D Q08499 1/20 0.52
NPC1 O15118 1/20 0.52
MAPK1 P28482 1/20 0.51

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
SCHEMBL31636462 0.86 ALDH1A1 (0.57) ALDH1A1HPGDSMN1; SMN2HTTRAB9A
SCHEMBL1195700 0.86 ALDH1A1 (0.57) ALDH1A1HPGDSMN1; SMN2HTTRAB9A
SCHEMBL1065124 0.86 ALDH1A1 (0.75) ALDH1A1HPGDSMN1; SMN2HTTRAB9A
SCHEMBL10340644 0.85 HTT (0.57) ALDH1A1HPGDSMN1; SMN2HTTRAB9A
SCHEMBL798337 0.84 ALDH1A1 (0.73) ALDH1A1HPGDSMN1; SMN2HTTRAB9A
SCHEMBL3264275 0.83 ALDH1A1 (0.71) ALDH1A1HPGDSMN1; SMN2HTTRAB9A
SCHEMBL3057553 0.83 ALDH1A1 (0.71) ALDH1A1HPGDSMN1; SMN2HTTRAB9A
SCHEMBL13887595 0.83 NR4A3 (0.72) ALDH1A1HPGDSMN1; SMN2HTTRAB9A
SCHEMBL1143334 0.83 ALDH1A1 (1.00) ALDH1A1HPGDSMN1; SMN2HTTRAB9A
SCHEMBL4828987 0.82 ALDH1A1 (1.00) ALDH1A1HPGDSMN1; SMN2HTTRAB9A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1618092-B1 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2010-09-22 EP disclosed
US-20100016320-A1 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-01-21 US disclosed
US-20100016320-A1 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-01-21 US disclosed
US-7605273-B2 Aryl-substituted pyrazole-amide compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-20 US disclosed
US-7605273-B2 Aryl-substituted pyrazole-amide compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-20 US disclosed
US-20080275092-A1 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-11-06 US disclosed
US-20080275092-A1 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2008-11-06 US disclosed
EP-1617840-A4 PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-08-20 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-7396935-B2 Aryl-substituted pyrazole-amide compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-08 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-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-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
EP-1617840-A2 PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2006-01-25 EP disclosed
US-20050004176-A1 Pyrazole-amide compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-01-06 US disclosed
WO-2004098518-A2 PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-11-18 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 (4 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-20080275092-A1 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS MAPK6, CDK6, GRK6 ALDH1A1 2758/4885HPGD 1476/4885SMN1; SMN2 3120/4885
US-20100016320-A1 ARYL-SUBSTITUTED PYRAZOLE-AMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS MAPK6, CDK6, GRK6 ALDH1A1 2758/4885HPGD 1476/4885SMN1; SMN2 3120/4885
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 4289/4885HPGD 2141/4885SMN1; SMN2 2572/4885
US-20050004176-A1 Pyrazole-amide compounds useful as kinase inhibitors MAP3K1, MAP3K5, MAP3K7 ALDH1A1 2171/4885HPGD 867/4885SMN1; SMN2 3694/4885

“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.