SCHEMBL26042

SCHEMBL26042

CCCc1c(CO)cnn1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR4A3 Q92570 1/20 0.54
ALDH1A1 P00352 9/20 0.48
MAPT P10636 6/20 0.48
MAPK1 P28482 4/20 0.48
GAA P10253 2/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 2/20 0.46
PKM P14618 1/20 0.46
POLB P06746 1/20 0.46
MAPK14 Q16539 4/20 0.45

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
SCHEMBL6534028 0.87 NR4A3 (0.65) NR4A3ALDH1A1MAPTMAPK1GAA
SCHEMBL33204 0.84 NR4A3 (0.47) NR4A3ALDH1A1MAPTMAPK1GAA
SCHEMBL23399438 0.81 NR4A3 (0.53) NR4A3ALDH1A1MAPTMAPK1GAA
SCHEMBL773204 0.80 NR4A3 (0.78) NR4A3ALDH1A1MAPTMAPK1GAA
SCHEMBL8573830 0.79 ALDH1A1 (0.50) NR4A3ALDH1A1MAPTMAPK1GAA
SCHEMBL12203848 0.79 ALDH1A1 (0.51) NR4A3ALDH1A1MAPTMAPK1GAA
SCHEMBL2123401 0.78 NR4A3 (0.49) NR4A3ALDH1A1MAPTMAPK1GAA
SCHEMBL23402338 0.78 USP2 (0.47) NR4A3ALDH1A1MAPTMAPK1GAA
SCHEMBL1568047 0.77 SMO (0.57) NR4A3ALDH1A1MAPTMAPK1RAB9A
SCHEMBL13593554 0.76 ALDH1A1 (0.63) NR4A3ALDH1A1MAPTMAPK1GAA

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-2385041-B1 Pyrazole-amine compounds useful as kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2013-09-18 EP disclosed
EP-2385041-B1 Pyrazole-amine compounds useful as kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2013-09-18 EP disclosed
EP-1620108-B1 PYRAZOLE-AMINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-06-06 EP disclosed
EP-2385041-A1 Pyrazole-amine compounds useful as kinase inhibitors Bristol-Myers Squibb Company (US) 2011-11-09 EP disclosed
EP-2385041-A1 Pyrazole-amine compounds useful as kinase inhibitors Bristol-Myers Squibb Company (US) 2011-11-09 EP disclosed
US-8041794-B2 Platform discovery, asset inventory, configuration, and provisioning in a pre-boot environment using web services INTEL CORPORATION (US) 2011-10-18 US 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-7592338-B2 Pyrazole-amine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
EP-1620108-A4 PYRAZOLE-AMINE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-08-27 EP 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
US-7253170-B2 Pyrazole-amine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-07 US disclosed
US-7151113-B2 Pyrazole-amine compounds useful as kinase inhibitors BRISTOL MYERS SQUIBB COMPANY (US) 2006-12-19 US disclosed
US-20060247247-A1 Pyrazole-amine compounds useful as kinase inhibitors DYCKMAN ALARIC J 2006-11-02 US disclosed
EP-1620108-A2 PYRAZOLE-AMINE COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2006-02-01 EP disclosed
WO-2005040127-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES LTD. (KR) 2005-05-06 WO disclosed
US-20040248853-A1 Pyrazole-amine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-12-09 US disclosed
WO-2004098528-A2 PYRAZOLE-AMINE 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 (3 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-20040248853-A1 Pyrazole-amine compounds useful as kinase inhibitors MAPK1, MAP3K1, MAP3K5 NR4A3 2492/4885ALDH1A1 1872/4885MAPT 2213/4885
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 NR4A3 1666/4885ALDH1A1 4424/4885MAPT 205/4885
US-20060247247-A1 Pyrazole-amine compounds useful as kinase inhibitors MAP3K1, MAP3K20, MAP3K5 NR4A3 2093/4885ALDH1A1 2285/4885MAPT 2043/4885

“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.