SCHEMBL13688103

SCHEMBL13688103

Cc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)cc1C(=O)Nc1cnn(-c2ccccc2)c1C

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.57
SMO Q99835 1/20 0.54
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
PKM P14618 1/20 0.52
MAPT P10636 2/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPK8 P45983 2/20 0.51
MAPK10 P53779 2/20 0.51
BRAF P15056 1/20 0.51
MAPK13 O15264 1/20 0.51
MAPK12 P53778 1/20 0.51
MAPK11 Q15759 1/20 0.51
LCK P06239 1/20 0.51
KDR P35968 1/20 0.51
NR1H4 Q96RI1 1/20 0.49

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
SCHEMBL13688104 0.90 KMO (0.53) MAPK14SMONPC1MAPTALDH1A1
SCHEMBL13688131 0.81 RAB9A (0.49) MAPK14NPC1RAB9APKMMAPT
SCHEMBL6782804 0.81 MAPK14 (0.73) MAPK14SMONPC1RAB9APKM
SCHEMBL4016845 0.78 BRAF (0.51) MAPK14MAPK8MAPK10BRAFMAPK13
SCHEMBL1368098 0.77 BRAF (0.54) MAPK14SMOBRAFLCKKDR
SCHEMBL6484389 0.76 MAPK14 (0.70) MAPK14SMORAB9AMAPTBRAF
SCHEMBL6478056 0.76 MAPK14 (0.68) MAPK14SMORAB9AMAPTBRAF
SCHEMBL5897175 0.76 MAPK14 (0.59) MAPK14SMONPC1RAB9APKM
SCHEMBL13688126 0.76 RAB9A (0.58) MAPK14NPC1RAB9APKMALDH1A1
SCHEMBL6485580 0.76 MAPK14 (0.75) MAPK14SMONPC1RAB9APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 11/4885SMO 4228/4885NPC1 3995/4885

“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.