SCHEMBL33206

SCHEMBL33206

Cc1c(NC(=O)c2ccncc2)cnn1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.56
NPC1 O15118 8/20 0.56
PKM P14618 2/20 0.56
NAMPT P43490 1/20 0.53
TP53 P04637 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HTT P42858 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.49
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.47

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
SCHEMBL18134653 0.92 RAB9A (0.61) RAB9ANPC1PKMNAMPTMAPK1
SCHEMBL13688122 0.88 RAB9A (0.57) RAB9ANPC1PKMNAMPTTP53
SCHEMBL13688107 0.87 NAMPT (0.60) RAB9ANPC1PKMNAMPTTP53
SCHEMBL13688142 0.87 RAB9A (0.57) RAB9ANPC1PKMNAMPTTP53
SCHEMBL13688102 0.85 RAB9A (0.54) RAB9ANPC1PKMHTTALDH1A1
SCHEMBL25214163 0.83 NAMPT (0.47) RAB9ANPC1PKMNAMPTMAPK1
SCHEMBL13688133 0.83 RAB9A (0.52) RAB9ANPC1PKMNAMPTHTT
SCHEMBL13688108 0.83 ALDH1A1 (0.53) RAB9ANPC1PKMKMT2ANPSR1
SCHEMBL13688121 0.82 RAB9A (0.56) RAB9ANPC1PKMNAMPTABCG2
SCHEMBL30572323 0.81 NAMPT (0.45) RAB9ANPC1PKMNAMPTMAPK1

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-2385041-B1 Pyrazole-amine compounds useful as kinase inhibitors BRISTOL MYERS SQUIBB CO (US) 2013-09-18 EP disclosed
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 RAB9A 2091/4885NPC1 3995/4885PKM 472/4885

“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.